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26 additions
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66 deletions
... | @@ -55,7 +55,7 @@ modes_data = { | ... | @@ -55,7 +55,7 @@ modes_data = { |
55 | "P-O5'-C5'":2, "O5'-C5'-C4'":1, "C5'-C4'-P":2, "C5'-C4'-C1'":2, "C4'-P-O5'":2, "C4'-C1'-B1":2, "C1'-C4'-P":2, "C1'-B1-B2":2, | 55 | "P-O5'-C5'":2, "O5'-C5'-C4'":1, "C5'-C4'-P":2, "C5'-C4'-C1'":2, "C4'-P-O5'":2, "C4'-C1'-B1":2, "C1'-C4'-P":2, "C1'-B1-B2":2, |
56 | 56 | ||
57 | # HiRE-RNA, torsions | 57 | # HiRE-RNA, torsions |
58 | - "P-O5'-C5'-C4'":1, "O5'-C5'-C4'-P°":3, "O5'-C5'-C4'-C1'":3, "C5'-C4'-P°-O5'°":3, "C5'-C4'-C1'-B1":2, "C4'-P°-O5'°-C5'°":3, "C4'-C1'-B1-B2":3, "C1'-C4'-P°-O5'°":3, | 58 | + "P-O5'-C5'-C4'":3, "O5'-C5'-C4'-P°":3, "O5'-C5'-C4'-C1'":3, "C5'-C4'-P°-O5'°":3, "C5'-C4'-C1'-B1":2, "C4'-P°-O5'°-C5'°":3, "C4'-C1'-B1-B2":3, "C1'-C4'-P°-O5'°":3, |
59 | 59 | ||
60 | # HiRE-RNA, basepairs | 60 | # HiRE-RNA, basepairs |
61 | "cWW_AA_tips_distance":3, "cWW_AA_C1'-B1-B1pair":1, "cWW_AA_B1-B1pair-C1'pair":1, "cWW_AA_C4'-C1'-B1-B1pair":2, "cWW_AA_B1-B1pair-C1'pair-C4'pair":3, "cWW_AA_alpha_1":2, "cWW_AA_alpha_2":3, "cWW_AA_dB1":3, "cWW_AA_dB2":3, | 61 | "cWW_AA_tips_distance":3, "cWW_AA_C1'-B1-B1pair":1, "cWW_AA_B1-B1pair-C1'pair":1, "cWW_AA_C4'-C1'-B1-B1pair":2, "cWW_AA_B1-B1pair-C1'pair-C4'pair":3, "cWW_AA_alpha_1":2, "cWW_AA_alpha_2":3, "cWW_AA_dB1":3, "cWW_AA_dB2":3, |
... | @@ -172,7 +172,7 @@ modes_data = { | ... | @@ -172,7 +172,7 @@ modes_data = { |
172 | "tWH_CG_tips_distance":4, "tWH_CG_C1'-B1-B1pair":2, "tWH_CG_B1-B1pair-C1'pair":1, "tWH_CG_C4'-C1'-B1-B1pair":2, "tWH_CG_B1-B1pair-C1'pair-C4'pair":3, "tWH_CG_alpha_1":2, "tWH_CG_alpha_2":1, "tWH_CG_dB1":3, "tWH_CG_dB2":2, | 172 | "tWH_CG_tips_distance":4, "tWH_CG_C1'-B1-B1pair":2, "tWH_CG_B1-B1pair-C1'pair":1, "tWH_CG_C4'-C1'-B1-B1pair":2, "tWH_CG_B1-B1pair-C1'pair-C4'pair":3, "tWH_CG_alpha_1":2, "tWH_CG_alpha_2":1, "tWH_CG_dB1":3, "tWH_CG_dB2":2, |
173 | "cHW_CG_tips_distance":3, "cHW_CG_C1'-B1-B1pair":2, "cHW_CG_B1-B1pair-C1'pair":2, "cHW_CG_C4'-C1'-B1-B1pair":1, "cHW_CG_B1-B1pair-C1'pair-C4'pair":2, "cHW_CG_alpha_1":1, "cHW_CG_alpha_2":2, "cHW_CG_dB1":2, "cHW_CG_dB2":2, | 173 | "cHW_CG_tips_distance":3, "cHW_CG_C1'-B1-B1pair":2, "cHW_CG_B1-B1pair-C1'pair":2, "cHW_CG_C4'-C1'-B1-B1pair":1, "cHW_CG_B1-B1pair-C1'pair-C4'pair":2, "cHW_CG_alpha_1":1, "cHW_CG_alpha_2":2, "cHW_CG_dB1":2, "cHW_CG_dB2":2, |
174 | "tHW_CG_tips_distance":5, "tHW_CG_C1'-B1-B1pair":1, "tHW_CG_B1-B1pair-C1'pair":2, "tHW_CG_C4'-C1'-B1-B1pair":1, "tHW_CG_B1-B1pair-C1'pair-C4'pair":2, "tHW_CG_alpha_1":3, "tHW_CG_alpha_2":2, "tHW_CG_dB1":4, "tHW_CG_dB2":3, | 174 | "tHW_CG_tips_distance":5, "tHW_CG_C1'-B1-B1pair":1, "tHW_CG_B1-B1pair-C1'pair":2, "tHW_CG_C4'-C1'-B1-B1pair":1, "tHW_CG_B1-B1pair-C1'pair-C4'pair":2, "tHW_CG_alpha_1":3, "tHW_CG_alpha_2":2, "tHW_CG_dB1":4, "tHW_CG_dB2":3, |
175 | - "cWS_CG_tips_distance":2, "cWS_CG_C1'-B1-B1pair":1, "cWS_CG_B1-B1pair-C1'pair":1, "cWS_CG_C4'-C1'-B1-B1pair":1, "cWS_CG_B1-B1pair-C1'pair-C4'pair":1, "cWS_CG_alpha_1":1, "cWS_CG_alpha_2":2, "cWS_CG_dB1":2, "cWS_CG_dB2":3, | 175 | + "cWS_CG_tips_distance":2, "cWS_CG_C1'-B1-B1pair":1, "cWS_CG_B1-B1pair-C1'pair":1, "cWS_CG_C4'-C1'-B1-B1pair":2, "cWS_CG_B1-B1pair-C1'pair-C4'pair":1, "cWS_CG_alpha_1":1, "cWS_CG_alpha_2":2, "cWS_CG_dB1":2, "cWS_CG_dB2":3, |
176 | "tWS_CG_tips_distance":2, "tWS_CG_C1'-B1-B1pair":3, "tWS_CG_B1-B1pair-C1'pair":1, "tWS_CG_C4'-C1'-B1-B1pair":2, "tWS_CG_B1-B1pair-C1'pair-C4'pair":1, "tWS_CG_alpha_1":2, "tWS_CG_alpha_2":1, "tWS_CG_dB1":2, "tWS_CG_dB2":4, | 176 | "tWS_CG_tips_distance":2, "tWS_CG_C1'-B1-B1pair":3, "tWS_CG_B1-B1pair-C1'pair":1, "tWS_CG_C4'-C1'-B1-B1pair":2, "tWS_CG_B1-B1pair-C1'pair-C4'pair":1, "tWS_CG_alpha_1":2, "tWS_CG_alpha_2":1, "tWS_CG_dB1":2, "tWS_CG_dB2":4, |
177 | "cSW_CG_tips_distance":7, "cSW_CG_C1'-B1-B1pair":1, "cSW_CG_B1-B1pair-C1'pair":2, "cSW_CG_C4'-C1'-B1-B1pair":2, "cSW_CG_B1-B1pair-C1'pair-C4'pair":3, "cSW_CG_alpha_1":1, "cSW_CG_alpha_2":2, "cSW_CG_dB1":1, "cSW_CG_dB2":3, | 177 | "cSW_CG_tips_distance":7, "cSW_CG_C1'-B1-B1pair":1, "cSW_CG_B1-B1pair-C1'pair":2, "cSW_CG_C4'-C1'-B1-B1pair":2, "cSW_CG_B1-B1pair-C1'pair-C4'pair":3, "cSW_CG_alpha_1":1, "cSW_CG_alpha_2":2, "cSW_CG_dB1":1, "cSW_CG_dB2":3, |
178 | "tSW_CG_tips_distance":4, "tSW_CG_C1'-B1-B1pair":1, "tSW_CG_B1-B1pair-C1'pair":2, "tSW_CG_C4'-C1'-B1-B1pair":3, "tSW_CG_B1-B1pair-C1'pair-C4'pair":2, "tSW_CG_alpha_1":1, "tSW_CG_alpha_2":2, "tSW_CG_dB1":7, "tSW_CG_dB2":2, | 178 | "tSW_CG_tips_distance":4, "tSW_CG_C1'-B1-B1pair":1, "tSW_CG_B1-B1pair-C1'pair":2, "tSW_CG_C4'-C1'-B1-B1pair":3, "tSW_CG_B1-B1pair-C1'pair-C4'pair":2, "tSW_CG_alpha_1":1, "tSW_CG_alpha_2":2, "tSW_CG_dB1":7, "tSW_CG_dB2":2, |
... | @@ -190,7 +190,7 @@ modes_data = { | ... | @@ -190,7 +190,7 @@ modes_data = { |
190 | "tWH_CU_tips_distance":1, "tWH_CU_C1'-B1-B1pair":2, "tWH_CU_B1-B1pair-C1'pair":2, "tWH_CU_C4'-C1'-B1-B1pair":3, "tWH_CU_B1-B1pair-C1'pair-C4'pair":2, "tWH_CU_alpha_1":3, "tWH_CU_alpha_2":3, "tWH_CU_dB1":5, "tWH_CU_dB2":2, | 190 | "tWH_CU_tips_distance":1, "tWH_CU_C1'-B1-B1pair":2, "tWH_CU_B1-B1pair-C1'pair":2, "tWH_CU_C4'-C1'-B1-B1pair":3, "tWH_CU_B1-B1pair-C1'pair-C4'pair":2, "tWH_CU_alpha_1":3, "tWH_CU_alpha_2":3, "tWH_CU_dB1":5, "tWH_CU_dB2":2, |
191 | "cHW_CU_tips_distance":3, "cHW_CU_C1'-B1-B1pair":2, "cHW_CU_B1-B1pair-C1'pair":2, "cHW_CU_C4'-C1'-B1-B1pair":1, "cHW_CU_B1-B1pair-C1'pair-C4'pair":3, "cHW_CU_alpha_1":2, "cHW_CU_alpha_2":2, "cHW_CU_dB1":1, "cHW_CU_dB2":3, | 191 | "cHW_CU_tips_distance":3, "cHW_CU_C1'-B1-B1pair":2, "cHW_CU_B1-B1pair-C1'pair":2, "cHW_CU_C4'-C1'-B1-B1pair":1, "cHW_CU_B1-B1pair-C1'pair-C4'pair":3, "cHW_CU_alpha_1":2, "cHW_CU_alpha_2":2, "cHW_CU_dB1":1, "cHW_CU_dB2":3, |
192 | "tHW_CU_tips_distance":8, "tHW_CU_C1'-B1-B1pair":1, "tHW_CU_B1-B1pair-C1'pair":1, "tHW_CU_C4'-C1'-B1-B1pair":3, "tHW_CU_B1-B1pair-C1'pair-C4'pair":2, "tHW_CU_alpha_1":1, "tHW_CU_alpha_2":2, "tHW_CU_dB1":3, "tHW_CU_dB2":3, | 192 | "tHW_CU_tips_distance":8, "tHW_CU_C1'-B1-B1pair":1, "tHW_CU_B1-B1pair-C1'pair":1, "tHW_CU_C4'-C1'-B1-B1pair":3, "tHW_CU_B1-B1pair-C1'pair-C4'pair":2, "tHW_CU_alpha_1":1, "tHW_CU_alpha_2":2, "tHW_CU_dB1":3, "tHW_CU_dB2":3, |
193 | - "cWS_CU_tips_distance":4, "cWS_CU_C1'-B1-B1pair":1, "cWS_CU_B1-B1pair-C1'pair":2, "cWS_CU_C4'-C1'-B1-B1pair":2, "cWS_CU_B1-B1pair-C1'pair-C4'pair":2, "cWS_CU_alpha_1":3, "cWS_CU_alpha_2":2, "cWS_CU_dB1":4, "cWS_CU_dB2":2, | 193 | + "cWS_CU_tips_distance":4, "cWS_CU_C1'-B1-B1pair":1, "cWS_CU_B1-B1pair-C1'pair":2, "cWS_CU_C4'-C1'-B1-B1pair":3, "cWS_CU_B1-B1pair-C1'pair-C4'pair":2, "cWS_CU_alpha_1":3, "cWS_CU_alpha_2":2, "cWS_CU_dB1":4, "cWS_CU_dB2":2, |
194 | "tWS_CU_tips_distance":5, "tWS_CU_C1'-B1-B1pair":3, "tWS_CU_B1-B1pair-C1'pair":1, "tWS_CU_C4'-C1'-B1-B1pair":2, "tWS_CU_B1-B1pair-C1'pair-C4'pair":2, "tWS_CU_alpha_1":2, "tWS_CU_alpha_2":1, "tWS_CU_dB1":3, "tWS_CU_dB2":5, | 194 | "tWS_CU_tips_distance":5, "tWS_CU_C1'-B1-B1pair":3, "tWS_CU_B1-B1pair-C1'pair":1, "tWS_CU_C4'-C1'-B1-B1pair":2, "tWS_CU_B1-B1pair-C1'pair-C4'pair":2, "tWS_CU_alpha_1":2, "tWS_CU_alpha_2":1, "tWS_CU_dB1":3, "tWS_CU_dB2":5, |
195 | "cSW_CU_tips_distance":3, "cSW_CU_C1'-B1-B1pair":2, "cSW_CU_B1-B1pair-C1'pair":2, "cSW_CU_C4'-C1'-B1-B1pair":2, "cSW_CU_B1-B1pair-C1'pair-C4'pair":3, "cSW_CU_alpha_1":3, "cSW_CU_alpha_2":3, "cSW_CU_dB1":2, "cSW_CU_dB2":4, | 195 | "cSW_CU_tips_distance":3, "cSW_CU_C1'-B1-B1pair":2, "cSW_CU_B1-B1pair-C1'pair":2, "cSW_CU_C4'-C1'-B1-B1pair":2, "cSW_CU_B1-B1pair-C1'pair-C4'pair":3, "cSW_CU_alpha_1":3, "cSW_CU_alpha_2":3, "cSW_CU_dB1":2, "cSW_CU_dB2":4, |
196 | "tSW_CU_tips_distance":7, "tSW_CU_C1'-B1-B1pair":2, "tSW_CU_B1-B1pair-C1'pair":2, "tSW_CU_C4'-C1'-B1-B1pair":2, "tSW_CU_B1-B1pair-C1'pair-C4'pair":2, "tSW_CU_alpha_1":2, "tSW_CU_alpha_2":2, "tSW_CU_dB1":2, "tSW_CU_dB2":2, | 196 | "tSW_CU_tips_distance":7, "tSW_CU_C1'-B1-B1pair":2, "tSW_CU_B1-B1pair-C1'pair":2, "tSW_CU_C4'-C1'-B1-B1pair":2, "tSW_CU_B1-B1pair-C1'pair-C4'pair":2, "tSW_CU_alpha_1":2, "tSW_CU_alpha_2":2, "tSW_CU_dB1":2, "tSW_CU_dB2":2, |
... | @@ -203,7 +203,7 @@ modes_data = { | ... | @@ -203,7 +203,7 @@ modes_data = { |
203 | "cSS_CU_tips_distance":5, "cSS_CU_C1'-B1-B1pair":2, "cSS_CU_B1-B1pair-C1'pair":2, "cSS_CU_C4'-C1'-B1-B1pair":1, "cSS_CU_B1-B1pair-C1'pair-C4'pair":1, "cSS_CU_alpha_1":2, "cSS_CU_alpha_2":3, "cSS_CU_dB1":6, "cSS_CU_dB2":1, | 203 | "cSS_CU_tips_distance":5, "cSS_CU_C1'-B1-B1pair":2, "cSS_CU_B1-B1pair-C1'pair":2, "cSS_CU_C4'-C1'-B1-B1pair":1, "cSS_CU_B1-B1pair-C1'pair-C4'pair":1, "cSS_CU_alpha_1":2, "cSS_CU_alpha_2":3, "cSS_CU_dB1":6, "cSS_CU_dB2":1, |
204 | "tSS_CU_tips_distance":5, "tSS_CU_C1'-B1-B1pair":2, "tSS_CU_B1-B1pair-C1'pair":3, "tSS_CU_C4'-C1'-B1-B1pair":2, "tSS_CU_B1-B1pair-C1'pair-C4'pair":2, "tSS_CU_alpha_1":3, "tSS_CU_alpha_2":3, "tSS_CU_dB1":7, "tSS_CU_dB2":2, | 204 | "tSS_CU_tips_distance":5, "tSS_CU_C1'-B1-B1pair":2, "tSS_CU_B1-B1pair-C1'pair":3, "tSS_CU_C4'-C1'-B1-B1pair":2, "tSS_CU_B1-B1pair-C1'pair-C4'pair":2, "tSS_CU_alpha_1":3, "tSS_CU_alpha_2":3, "tSS_CU_dB1":7, "tSS_CU_dB2":2, |
205 | "cWW_GA_tips_distance":5, "cWW_GA_C1'-B1-B1pair":1, "cWW_GA_B1-B1pair-C1'pair":1, "cWW_GA_C4'-C1'-B1-B1pair":2, "cWW_GA_B1-B1pair-C1'pair-C4'pair":2, "cWW_GA_alpha_1":1, "cWW_GA_alpha_2":1, "cWW_GA_dB1":2, "cWW_GA_dB2":1, | 205 | "cWW_GA_tips_distance":5, "cWW_GA_C1'-B1-B1pair":1, "cWW_GA_B1-B1pair-C1'pair":1, "cWW_GA_C4'-C1'-B1-B1pair":2, "cWW_GA_B1-B1pair-C1'pair-C4'pair":2, "cWW_GA_alpha_1":1, "cWW_GA_alpha_2":1, "cWW_GA_dB1":2, "cWW_GA_dB2":1, |
206 | - "tWW_GA_tips_distance":6, "tWW_GA_C1'-B1-B1pair":1, "tWW_GA_B1-B1pair-C1'pair":1, "tWW_GA_C4'-C1'-B1-B1pair":1, "tWW_GA_B1-B1pair-C1'pair-C4'pair":2, "tWW_GA_alpha_1":1, "tWW_GA_alpha_2":2, "tWW_GA_dB1":1, "tWW_GA_dB2":2, | 206 | + "tWW_GA_tips_distance":6, "tWW_GA_C1'-B1-B1pair":1, "tWW_GA_B1-B1pair-C1'pair":1, "tWW_GA_C4'-C1'-B1-B1pair":1, "tWW_GA_B1-B1pair-C1'pair-C4'pair":2, "tWW_GA_alpha_1":2, "tWW_GA_alpha_2":2, "tWW_GA_dB1":1, "tWW_GA_dB2":2, |
207 | "cWH_GA_tips_distance":2, "cWH_GA_C1'-B1-B1pair":1, "cWH_GA_B1-B1pair-C1'pair":1, "cWH_GA_C4'-C1'-B1-B1pair":3, "cWH_GA_B1-B1pair-C1'pair-C4'pair":2, "cWH_GA_alpha_1":2, "cWH_GA_alpha_2":1, "cWH_GA_dB1":2, "cWH_GA_dB2":2, | 207 | "cWH_GA_tips_distance":2, "cWH_GA_C1'-B1-B1pair":1, "cWH_GA_B1-B1pair-C1'pair":1, "cWH_GA_C4'-C1'-B1-B1pair":3, "cWH_GA_B1-B1pair-C1'pair-C4'pair":2, "cWH_GA_alpha_1":2, "cWH_GA_alpha_2":1, "cWH_GA_dB1":2, "cWH_GA_dB2":2, |
208 | "tWH_GA_tips_distance":7, "tWH_GA_C1'-B1-B1pair":1, "tWH_GA_B1-B1pair-C1'pair":2, "tWH_GA_C4'-C1'-B1-B1pair":1, "tWH_GA_B1-B1pair-C1'pair-C4'pair":2, "tWH_GA_alpha_1":2, "tWH_GA_alpha_2":2, "tWH_GA_dB1":1, "tWH_GA_dB2":6, | 208 | "tWH_GA_tips_distance":7, "tWH_GA_C1'-B1-B1pair":1, "tWH_GA_B1-B1pair-C1'pair":2, "tWH_GA_C4'-C1'-B1-B1pair":1, "tWH_GA_B1-B1pair-C1'pair-C4'pair":2, "tWH_GA_alpha_1":2, "tWH_GA_alpha_2":2, "tWH_GA_dB1":1, "tWH_GA_dB2":6, |
209 | "cHW_GA_tips_distance":4, "cHW_GA_C1'-B1-B1pair":2, "cHW_GA_B1-B1pair-C1'pair":2, "cHW_GA_C4'-C1'-B1-B1pair":2, "cHW_GA_B1-B1pair-C1'pair-C4'pair":3, "cHW_GA_alpha_1":1, "cHW_GA_alpha_2":2, "cHW_GA_dB1":1, "cHW_GA_dB2":4, | 209 | "cHW_GA_tips_distance":4, "cHW_GA_C1'-B1-B1pair":2, "cHW_GA_B1-B1pair-C1'pair":2, "cHW_GA_C4'-C1'-B1-B1pair":2, "cHW_GA_B1-B1pair-C1'pair-C4'pair":3, "cHW_GA_alpha_1":1, "cHW_GA_alpha_2":2, "cHW_GA_dB1":1, "cHW_GA_dB2":4, |
... | @@ -227,7 +227,7 @@ modes_data = { | ... | @@ -227,7 +227,7 @@ modes_data = { |
227 | "cHW_GC_tips_distance":4, "cHW_GC_C1'-B1-B1pair":1, "cHW_GC_B1-B1pair-C1'pair":1, "cHW_GC_C4'-C1'-B1-B1pair":2, "cHW_GC_B1-B1pair-C1'pair-C4'pair":2, "cHW_GC_alpha_1":1, "cHW_GC_alpha_2":1, "cHW_GC_dB1":3, "cHW_GC_dB2":4, | 227 | "cHW_GC_tips_distance":4, "cHW_GC_C1'-B1-B1pair":1, "cHW_GC_B1-B1pair-C1'pair":1, "cHW_GC_C4'-C1'-B1-B1pair":2, "cHW_GC_B1-B1pair-C1'pair-C4'pair":2, "cHW_GC_alpha_1":1, "cHW_GC_alpha_2":1, "cHW_GC_dB1":3, "cHW_GC_dB2":4, |
228 | "tHW_GC_tips_distance":5, "tHW_GC_C1'-B1-B1pair":2, "tHW_GC_B1-B1pair-C1'pair":2, "tHW_GC_C4'-C1'-B1-B1pair":2, "tHW_GC_B1-B1pair-C1'pair-C4'pair":2, "tHW_GC_alpha_1":2, "tHW_GC_alpha_2":2, "tHW_GC_dB1":2, "tHW_GC_dB2":4, | 228 | "tHW_GC_tips_distance":5, "tHW_GC_C1'-B1-B1pair":2, "tHW_GC_B1-B1pair-C1'pair":2, "tHW_GC_C4'-C1'-B1-B1pair":2, "tHW_GC_B1-B1pair-C1'pair-C4'pair":2, "tHW_GC_alpha_1":2, "tHW_GC_alpha_2":2, "tHW_GC_dB1":2, "tHW_GC_dB2":4, |
229 | "cWS_GC_tips_distance":8, "cWS_GC_C1'-B1-B1pair":1, "cWS_GC_B1-B1pair-C1'pair":1, "cWS_GC_C4'-C1'-B1-B1pair":2, "cWS_GC_B1-B1pair-C1'pair-C4'pair":2, "cWS_GC_alpha_1":2, "cWS_GC_alpha_2":1, "cWS_GC_dB1":2, "cWS_GC_dB2":1, | 229 | "cWS_GC_tips_distance":8, "cWS_GC_C1'-B1-B1pair":1, "cWS_GC_B1-B1pair-C1'pair":1, "cWS_GC_C4'-C1'-B1-B1pair":2, "cWS_GC_B1-B1pair-C1'pair-C4'pair":2, "cWS_GC_alpha_1":2, "cWS_GC_alpha_2":1, "cWS_GC_dB1":2, "cWS_GC_dB2":1, |
230 | - "tWS_GC_tips_distance":2, "tWS_GC_C1'-B1-B1pair":1, "tWS_GC_B1-B1pair-C1'pair":1, "tWS_GC_C4'-C1'-B1-B1pair":3, "tWS_GC_B1-B1pair-C1'pair-C4'pair":2, "tWS_GC_alpha_1":1, "tWS_GC_alpha_2":1, "tWS_GC_dB1":4, "tWS_GC_dB2":5, | 230 | + "tWS_GC_tips_distance":2, "tWS_GC_C1'-B1-B1pair":1, "tWS_GC_B1-B1pair-C1'pair":1, "tWS_GC_C4'-C1'-B1-B1pair":3, "tWS_GC_B1-B1pair-C1'pair-C4'pair":2, "tWS_GC_alpha_1":2, "tWS_GC_alpha_2":1, "tWS_GC_dB1":4, "tWS_GC_dB2":5, |
231 | "cSW_GC_tips_distance":4, "cSW_GC_C1'-B1-B1pair":2, "cSW_GC_B1-B1pair-C1'pair":3, "cSW_GC_C4'-C1'-B1-B1pair":1, "cSW_GC_B1-B1pair-C1'pair-C4'pair":2, "cSW_GC_alpha_1":3, "cSW_GC_alpha_2":2, "cSW_GC_dB1":3, "cSW_GC_dB2":2, | 231 | "cSW_GC_tips_distance":4, "cSW_GC_C1'-B1-B1pair":2, "cSW_GC_B1-B1pair-C1'pair":3, "cSW_GC_C4'-C1'-B1-B1pair":1, "cSW_GC_B1-B1pair-C1'pair-C4'pair":2, "cSW_GC_alpha_1":3, "cSW_GC_alpha_2":2, "cSW_GC_dB1":3, "cSW_GC_dB2":2, |
232 | "tSW_GC_tips_distance":2, "tSW_GC_C1'-B1-B1pair":1, "tSW_GC_B1-B1pair-C1'pair":3, "tSW_GC_C4'-C1'-B1-B1pair":1, "tSW_GC_B1-B1pair-C1'pair-C4'pair":2, "tSW_GC_alpha_1":2, "tSW_GC_alpha_2":2, "tSW_GC_dB1":4, "tSW_GC_dB2":2, | 232 | "tSW_GC_tips_distance":2, "tSW_GC_C1'-B1-B1pair":1, "tSW_GC_B1-B1pair-C1'pair":3, "tSW_GC_C4'-C1'-B1-B1pair":1, "tSW_GC_B1-B1pair-C1'pair-C4'pair":2, "tSW_GC_alpha_1":2, "tSW_GC_alpha_2":2, "tSW_GC_dB1":4, "tSW_GC_dB2":2, |
233 | "cHH_GC_tips_distance":1, "cHH_GC_C1'-B1-B1pair":3, "cHH_GC_B1-B1pair-C1'pair":1, "cHH_GC_C4'-C1'-B1-B1pair":2, "cHH_GC_B1-B1pair-C1'pair-C4'pair":1, "cHH_GC_alpha_1":2, "cHH_GC_alpha_2":2, "cHH_GC_dB1":3, "cHH_GC_dB2":3, | 233 | "cHH_GC_tips_distance":1, "cHH_GC_C1'-B1-B1pair":3, "cHH_GC_B1-B1pair-C1'pair":1, "cHH_GC_C4'-C1'-B1-B1pair":2, "cHH_GC_B1-B1pair-C1'pair-C4'pair":1, "cHH_GC_alpha_1":2, "cHH_GC_alpha_2":2, "cHH_GC_dB1":3, "cHH_GC_dB2":3, |
... | @@ -1884,7 +1884,7 @@ def concat_jsons(flist, outfilename): | ... | @@ -1884,7 +1884,7 @@ def concat_jsons(flist, outfilename): |
1884 | result = [] | 1884 | result = [] |
1885 | for f in flist: | 1885 | for f in flist: |
1886 | if not os.path.isfile(f): | 1886 | if not os.path.isfile(f): |
1887 | - warn("Unable to find "+f) | 1887 | + warn("Unable to find "+f.split('/')[-1]) |
1888 | continue | 1888 | continue |
1889 | with open(f, "rb") as infile: | 1889 | with open(f, "rb") as infile: |
1890 | result.append(json.load(infile)) | 1890 | result.append(json.load(infile)) | ... | ... |
... | @@ -723,7 +723,6 @@ | ... | @@ -723,7 +723,6 @@ |
723 | 6r7b_1_E | 723 | 6r7b_1_E |
724 | 6o7i_1_I | 724 | 6o7i_1_I |
725 | 6o7h_1_K | 725 | 6o7h_1_K |
726 | -7a5g_1_A3 | ||
727 | 7l6t_1_C | 726 | 7l6t_1_C |
728 | 7jyy_1_F | 727 | 7jyy_1_F |
729 | 7jyy_1_E | 728 | 7jyy_1_E |
... | @@ -816,7 +815,6 @@ | ... | @@ -816,7 +815,6 @@ |
816 | 6ppn_1_A | 815 | 6ppn_1_A |
817 | 6ppn_1_I | 816 | 6ppn_1_I |
818 | 5flx_1_Z | 817 | 5flx_1_Z |
819 | -7a5g_1_B3 | ||
820 | 6eri_1_AX | 818 | 6eri_1_AX |
821 | 7k5l_1_R | 819 | 7k5l_1_R |
822 | 7d80_1_Y | 820 | 7d80_1_Y |
... | @@ -853,7 +851,6 @@ | ... | @@ -853,7 +851,6 @@ |
853 | 4x9e_1_H | 851 | 4x9e_1_H |
854 | 6z1p_1_BB | 852 | 6z1p_1_BB |
855 | 6z1p_1_BA | 853 | 6z1p_1_BA |
856 | -7a5g_1_A6 | ||
857 | 2uxd_1_X | 854 | 2uxd_1_X |
858 | 6ywe_1_BB | 855 | 6ywe_1_BB |
859 | 3ol9_1_D | 856 | 3ol9_1_D |
... | @@ -1053,8 +1050,6 @@ | ... | @@ -1053,8 +1050,6 @@ |
1053 | 6l74_1_I | 1050 | 6l74_1_I |
1054 | 5uh9_1_I | 1051 | 5uh9_1_I |
1055 | 7a5j_1_X | 1052 | 7a5j_1_X |
1056 | -7a5g_1_24 | ||
1057 | -7a5g_1_C | ||
1058 | 6sag_1_R | 1053 | 6sag_1_R |
1059 | 4udv_1_R | 1054 | 4udv_1_R |
1060 | 5zsc_1_D | 1055 | 5zsc_1_D |
... | @@ -1518,25 +1513,20 @@ | ... | @@ -1518,25 +1513,20 @@ |
1518 | 7d0g_1_A_805-913 | 1513 | 7d0g_1_A_805-913 |
1519 | 7d0f_1_A_817-913 | 1514 | 7d0f_1_A_817-913 |
1520 | 7o7z_1_AH_144-220 | 1515 | 7o7z_1_AH_144-220 |
1521 | -7a5g_1_A3_1-1454 | ||
1522 | -7a5g_1_A6_4-949 | ||
1523 | 4c9d_1_D_29-1 | 1516 | 4c9d_1_D_29-1 |
1524 | 4c9d_1_C_29-1 | 1517 | 4c9d_1_C_29-1 |
1525 | -7a5g_1_24_1-70 | ||
1526 | -7a5g_1_C_1-70 | ||
1527 | -7a5g_1_j_1-73 | ||
1528 | -7aih_1_1_2984-3610 | ||
1529 | 7aih_1_1_2400-2963 | 1518 | 7aih_1_1_2400-2963 |
1530 | -7ane_1_2_2489-3115 | 1519 | +7aih_1_1_2984-3610 |
1531 | 7ane_1_2_1904-2468 | 1520 | 7ane_1_2_1904-2468 |
1521 | +7ane_1_2_2489-3115 | ||
1532 | 5g2x_1_A_595-692 | 1522 | 5g2x_1_A_595-692 |
1533 | -7aor_1_2_2589-3210 | ||
1534 | 7aor_1_2_2020-2579 | 1523 | 7aor_1_2_2020-2579 |
1524 | +7aor_1_2_2589-3210 | ||
1535 | 7a5p_1_2_259-449 | 1525 | 7a5p_1_2_259-449 |
1536 | -7aor_1_A_2589-3210 | ||
1537 | 7aor_1_A_2020-2579 | 1526 | 7aor_1_A_2020-2579 |
1538 | -7am2_1_1_2491-3117 | 1527 | +7aor_1_A_2589-3210 |
1539 | 7am2_1_1_1904-2470 | 1528 | 7am2_1_1_1904-2470 |
1540 | -7ane_1_1_2489-3115 | 1529 | +7am2_1_1_2491-3117 |
1541 | 7ane_1_1_1904-2468 | 1530 | 7ane_1_1_1904-2468 |
1531 | +7ane_1_1_2489-3115 | ||
1542 | 6uz7_1_8_2140-2825 | 1532 | 6uz7_1_8_2140-2825 | ... | ... |
... | @@ -1145,7 +1145,7 @@ Could not find nucleotides of chain U3 in annotation 7a5k.json. Either there is | ... | @@ -1145,7 +1145,7 @@ Could not find nucleotides of chain U3 in annotation 7a5k.json. Either there is |
1145 | Could not find nucleotides of chain U in annotation 6nu2.json. Either there is a problem with 6nu2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 1145 | Could not find nucleotides of chain U in annotation 6nu2.json. Either there is a problem with 6nu2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
1146 | 1146 | ||
1147 | 7a5g_1_U3 | 1147 | 7a5g_1_U3 |
1148 | -Could not download and/or find annotations for 7a5g_1_U3. | 1148 | +Could not find nucleotides of chain U3 in annotation 7a5g.json. Either there is a problem with 7a5g mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
1149 | 1149 | ||
1150 | 6nu3_1_U | 1150 | 6nu3_1_U |
1151 | Could not find nucleotides of chain U in annotation 6nu3.json. Either there is a problem with 6nu3 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 1151 | Could not find nucleotides of chain U in annotation 6nu3.json. Either there is a problem with 6nu3 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
... | @@ -2173,9 +2173,6 @@ Sequence is too short. (< 5 resolved nts) | ... | @@ -2173,9 +2173,6 @@ Sequence is too short. (< 5 resolved nts) |
2173 | 6o7h_1_K | 2173 | 6o7h_1_K |
2174 | Sequence is too short. (< 5 resolved nts) | 2174 | Sequence is too short. (< 5 resolved nts) |
2175 | 2175 | ||
2176 | -7a5g_1_A3 | ||
2177 | -Could not download and/or find annotations for 7a5g_1_A3. | ||
2178 | - | ||
2179 | 7l6t_1_C | 2176 | 7l6t_1_C |
2180 | Sequence is too short. (< 5 resolved nts) | 2177 | Sequence is too short. (< 5 resolved nts) |
2181 | 2178 | ||
... | @@ -2452,9 +2449,6 @@ Sequence is too short. (< 5 resolved nts) | ... | @@ -2452,9 +2449,6 @@ Sequence is too short. (< 5 resolved nts) |
2452 | 5flx_1_Z | 2449 | 5flx_1_Z |
2453 | Could not find nucleotides of chain Z in annotation 5flx.json. Either there is a problem with 5flx mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 2450 | Could not find nucleotides of chain Z in annotation 5flx.json. Either there is a problem with 5flx mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
2454 | 2451 | ||
2455 | -7a5g_1_B3 | ||
2456 | -Could not download and/or find annotations for 7a5g_1_B3. | ||
2457 | - | ||
2458 | 6eri_1_AX | 2452 | 6eri_1_AX |
2459 | Could not find nucleotides of chain AX in annotation 6eri.json. Either there is a problem with 6eri mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 2453 | Could not find nucleotides of chain AX in annotation 6eri.json. Either there is a problem with 6eri mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
2460 | 2454 | ||
... | @@ -2563,9 +2557,6 @@ Could not find nucleotides of chain BB in annotation 6z1p.json. Either there is | ... | @@ -2563,9 +2557,6 @@ Could not find nucleotides of chain BB in annotation 6z1p.json. Either there is |
2563 | 6z1p_1_BA | 2557 | 6z1p_1_BA |
2564 | Could not find nucleotides of chain BA in annotation 6z1p.json. Either there is a problem with 6z1p mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 2558 | Could not find nucleotides of chain BA in annotation 6z1p.json. Either there is a problem with 6z1p mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
2565 | 2559 | ||
2566 | -7a5g_1_A6 | ||
2567 | -Could not download and/or find annotations for 7a5g_1_A6. | ||
2568 | - | ||
2569 | 2uxd_1_X | 2560 | 2uxd_1_X |
2570 | Sequence is too short. (< 5 resolved nts) | 2561 | Sequence is too short. (< 5 resolved nts) |
2571 | 2562 | ||
... | @@ -3163,12 +3154,6 @@ Sequence is too short. (< 5 resolved nts) | ... | @@ -3163,12 +3154,6 @@ Sequence is too short. (< 5 resolved nts) |
3163 | 7a5j_1_X | 3154 | 7a5j_1_X |
3164 | Could not find nucleotides of chain X in annotation 7a5j.json. Either there is a problem with 7a5j mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 3155 | Could not find nucleotides of chain X in annotation 7a5j.json. Either there is a problem with 7a5j mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
3165 | 3156 | ||
3166 | -7a5g_1_24 | ||
3167 | -Could not download and/or find annotations for 7a5g_1_24. | ||
3168 | - | ||
3169 | -7a5g_1_C | ||
3170 | -Could not download and/or find annotations for 7a5g_1_C. | ||
3171 | - | ||
3172 | 6sag_1_R | 3157 | 6sag_1_R |
3173 | Sequence is too short. (< 5 resolved nts) | 3158 | Sequence is too short. (< 5 resolved nts) |
3174 | 3159 | ||
... | @@ -3365,7 +3350,7 @@ Sequence is too short. (< 5 resolved nts) | ... | @@ -3365,7 +3350,7 @@ Sequence is too short. (< 5 resolved nts) |
3365 | Sequence is too short. (< 5 resolved nts) | 3350 | Sequence is too short. (< 5 resolved nts) |
3366 | 3351 | ||
3367 | 7a5g_1_J | 3352 | 7a5g_1_J |
3368 | -Could not download and/or find annotations for 7a5g_1_J. | 3353 | +Could not find nucleotides of chain J in annotation 7a5g.json. Either there is a problem with 7a5g mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
3369 | 3354 | ||
3370 | 6gx6_1_B | 3355 | 6gx6_1_B |
3371 | Sequence is too short. (< 5 resolved nts) | 3356 | Sequence is too short. (< 5 resolved nts) |
... | @@ -4558,67 +4543,52 @@ Could not find nucleotides of chain A in annotation 7d0f.json. Either there is a | ... | @@ -4558,67 +4543,52 @@ Could not find nucleotides of chain A in annotation 7d0f.json. Either there is a |
4558 | 7o7z_1_AH_144-220 | 4543 | 7o7z_1_AH_144-220 |
4559 | Could not find nucleotides of chain AH in annotation 7o7z.json. Either there is a problem with 7o7z mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4544 | Could not find nucleotides of chain AH in annotation 7o7z.json. Either there is a problem with 7o7z mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4560 | 4545 | ||
4561 | -7a5g_1_A3_1-1454 | ||
4562 | -Could not download and/or find annotations for 7a5g_1_A3_1-1454. | ||
4563 | - | ||
4564 | -7a5g_1_A6_4-949 | ||
4565 | -Could not download and/or find annotations for 7a5g_1_A6_4-949. | ||
4566 | - | ||
4567 | 4c9d_1_D_29-1 | 4546 | 4c9d_1_D_29-1 |
4568 | Mapping is reversed, this case is not supported (yet). | 4547 | Mapping is reversed, this case is not supported (yet). |
4569 | 4548 | ||
4570 | 4c9d_1_C_29-1 | 4549 | 4c9d_1_C_29-1 |
4571 | Mapping is reversed, this case is not supported (yet). | 4550 | Mapping is reversed, this case is not supported (yet). |
4572 | 4551 | ||
4573 | -7a5g_1_24_1-70 | 4552 | +7aih_1_1_2400-2963 |
4574 | -Could not download and/or find annotations for 7a5g_1_24_1-70. | ||
4575 | - | ||
4576 | -7a5g_1_C_1-70 | ||
4577 | -Could not download and/or find annotations for 7a5g_1_C_1-70. | ||
4578 | - | ||
4579 | -7a5g_1_j_1-73 | ||
4580 | -Could not download and/or find annotations for 7a5g_1_j_1-73. | ||
4581 | - | ||
4582 | -7aih_1_1_2984-3610 | ||
4583 | Could not find nucleotides of chain 1 in annotation 7aih.json. Either there is a problem with 7aih mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4553 | Could not find nucleotides of chain 1 in annotation 7aih.json. Either there is a problem with 7aih mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4584 | 4554 | ||
4585 | -7aih_1_1_2400-2963 | 4555 | +7aih_1_1_2984-3610 |
4586 | Could not find nucleotides of chain 1 in annotation 7aih.json. Either there is a problem with 7aih mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4556 | Could not find nucleotides of chain 1 in annotation 7aih.json. Either there is a problem with 7aih mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4587 | 4557 | ||
4588 | -7ane_1_2_2489-3115 | 4558 | +7ane_1_2_1904-2468 |
4589 | Could not find nucleotides of chain 2 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4559 | Could not find nucleotides of chain 2 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4590 | 4560 | ||
4591 | -7ane_1_2_1904-2468 | 4561 | +7ane_1_2_2489-3115 |
4592 | Could not find nucleotides of chain 2 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4562 | Could not find nucleotides of chain 2 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4593 | 4563 | ||
4594 | 5g2x_1_A_595-692 | 4564 | 5g2x_1_A_595-692 |
4595 | Sequence is too short. (< 5 resolved nts) | 4565 | Sequence is too short. (< 5 resolved nts) |
4596 | 4566 | ||
4597 | -7aor_1_2_2589-3210 | 4567 | +7aor_1_2_2020-2579 |
4598 | Could not find nucleotides of chain 2 in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4568 | Could not find nucleotides of chain 2 in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4599 | 4569 | ||
4600 | -7aor_1_2_2020-2579 | 4570 | +7aor_1_2_2589-3210 |
4601 | Could not find nucleotides of chain 2 in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4571 | Could not find nucleotides of chain 2 in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4602 | 4572 | ||
4603 | 7a5p_1_2_259-449 | 4573 | 7a5p_1_2_259-449 |
4604 | Could not find nucleotides of chain 2 in annotation 7a5p.json. Either there is a problem with 7a5p mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4574 | Could not find nucleotides of chain 2 in annotation 7a5p.json. Either there is a problem with 7a5p mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4605 | 4575 | ||
4606 | -7aor_1_A_2589-3210 | 4576 | +7aor_1_A_2020-2579 |
4607 | Could not find nucleotides of chain A in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4577 | Could not find nucleotides of chain A in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4608 | 4578 | ||
4609 | -7aor_1_A_2020-2579 | 4579 | +7aor_1_A_2589-3210 |
4610 | Could not find nucleotides of chain A in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4580 | Could not find nucleotides of chain A in annotation 7aor.json. Either there is a problem with 7aor mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4611 | 4581 | ||
4612 | -7am2_1_1_2491-3117 | 4582 | +7am2_1_1_1904-2470 |
4613 | Could not find nucleotides of chain 1 in annotation 7am2.json. Either there is a problem with 7am2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4583 | Could not find nucleotides of chain 1 in annotation 7am2.json. Either there is a problem with 7am2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4614 | 4584 | ||
4615 | -7am2_1_1_1904-2470 | 4585 | +7am2_1_1_2491-3117 |
4616 | Could not find nucleotides of chain 1 in annotation 7am2.json. Either there is a problem with 7am2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4586 | Could not find nucleotides of chain 1 in annotation 7am2.json. Either there is a problem with 7am2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4617 | 4587 | ||
4618 | -7ane_1_1_2489-3115 | 4588 | +7ane_1_1_1904-2468 |
4619 | Could not find nucleotides of chain 1 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4589 | Could not find nucleotides of chain 1 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4620 | 4590 | ||
4621 | -7ane_1_1_1904-2468 | 4591 | +7ane_1_1_2489-3115 |
4622 | Could not find nucleotides of chain 1 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. | 4592 | Could not find nucleotides of chain 1 in annotation 7ane.json. Either there is a problem with 7ane mmCIF download, or the bases are not resolved in the structure. Delete it and retry. |
4623 | 4593 | ||
4624 | 6uz7_1_8_2140-2825 | 4594 | 6uz7_1_8_2140-2825 | ... | ... |
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