Louis BECQUEY / RNANet

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Louis BECQUEY
72e8fc2f 1 parent 97926e0b

typo in statistics.py + recomputation

Inline Side-by-side
Showing 4 changed files with 255 additions and 260 deletions
1ml5_1_a_1-2914
1ml5_1_a_151-2903
1ml5_1_A_7-1518
1ml5_1_A_7-1515
1ml5_1_A_2-1520
1ml5_1_A_7-1518
1ml5_1_b_5-121
2rdo_1_A_3-118
4v48_1_A9_3-118
4v47_1_A9_3-118
1vy7_1_AY_1-73
1vy7_1_CY_1-73
4w2h_1_CY_1-73
6zmi_1_L8_1267-4755
6zm7_1_L8_1267-4755
6y6x_1_L8_1267-4755
......@@ -23,7 +20,11 @@
6ole_1_D_1267-4755
6om0_1_D_1267-4755
6y2l_1_L8_1267-4755
6lqm_1_8_1267-4755
6y0g_1_L8_1267-4755
6lu8_1_8_1267-4755
6lsr_1_8_1267-4755
6lss_1_8_1267-4755
6oli_1_D_1267-4755
6olg_1_A3_1267-4755
6y57_1_L8_1267-4755
......@@ -38,97 +39,100 @@
5lks_1_L8_1267-4755
6ip6_1_1C_1267-4755
4v6x_1_A8_1267-4755
1vy7_1_AY_1-73
1vy7_1_CY_1-73
4w2h_1_CY_1-73
2z9q_1_A_1-72
4v42_1_BB_5-121
1ls2_1_B_1-73
3ep2_1_Y_1-72
3eq3_1_Y_1-72
4v48_1_A6_1-73
1eg0_1_O_1-73
1gsg_1_T_1-72
3jcr_1_H_1-115
1eg0_1_O_1-73
4v42_1_BB_5-121
4v42_1_BA_1-2914
4v42_1_BA_151-2903
4v48_1_BA_1-91
4v48_1_BA_6-1541
4v48_1_BA_1-1543
4v48_1_BA_6-1538
4v47_1_BA_1-91
4v47_1_BA_6-1540
4v47_1_BA_1-1542
4v47_1_BA_6-1537
2rdo_1_B_1-2903
2rdo_1_B_6-1460
2rdo_1_B_1-1528
2rdo_1_B_6-1457
2rdo_1_B_160-2893
2rdo_1_B_1-2904
2rdo_1_B_6-1522
4v48_1_A0_1-2903
4v48_1_A0_6-1460
4v48_1_A0_1-1528
4v48_1_A0_6-1457
4v48_1_A0_160-2893
4v48_1_A0_1-2904
4v48_1_A0_6-1522
4v47_1_A0_1-2903
4v47_1_A0_6-1460
4v47_1_A0_1-1528
4v47_1_A0_6-1457
4v47_1_A0_160-2893
4v47_1_A0_1-2904
4v47_1_A0_6-1522
2ob7_1_A_10-319
1x1l_1_A_1-130
1zc8_1_Z_1-130
1zc8_1_Z_1-91
2ob7_1_D_1-130
1r2x_1_C_1-58
1r2w_1_C_1-58
1eg0_1_L_1-56
1eg0_1_L_1-57
6rxu_1_C2_588-2386
6rxu_1_C2_588-2383
6rxu_1_C2_583-2388
6rxu_1_C2_588-2383
5oql_1_2_588-2386
5oql_1_2_588-2383
5oql_1_2_583-2388
5oql_1_2_588-2383
6rxv_1_C2_588-2386
6rxv_1_C2_588-2383
6rxv_1_C2_583-2388
6rxv_1_C2_588-2383
6rxz_1_C2_588-2386
6rxz_1_C2_588-2383
6rxz_1_C2_583-2388
6rxz_1_C2_588-2383
6rxy_1_C2_588-2386
6rxy_1_C2_588-2383
6rxy_1_C2_583-2388
6rxy_1_C2_588-2383
6rxt_1_C2_588-2386
6rxt_1_C2_588-2383
6rxt_1_C2_583-2388
4v48_1_BA_1-91
4v48_1_BA_6-1541
4v48_1_BA_6-1538
4v48_1_BA_1-1543
4v47_1_BA_1-91
4v47_1_BA_6-1540
4v47_1_BA_6-1537
4v47_1_BA_1-1542
2rdo_1_B_6-1460
2rdo_1_B_6-1522
2rdo_1_B_1-2903
2rdo_1_B_6-1457
2rdo_1_B_1-2904
2rdo_1_B_1-1528
2rdo_1_B_160-2893
4v48_1_A0_6-1460
4v48_1_A0_6-1522
4v48_1_A0_1-2903
4v48_1_A0_6-1457
4v48_1_A0_1-2904
4v48_1_A0_1-1528
4v48_1_A0_160-2893
4v47_1_A0_6-1460
4v47_1_A0_6-1522
4v47_1_A0_1-2903
4v47_1_A0_6-1457
4v47_1_A0_1-2904
4v47_1_A0_1-1528
4v47_1_A0_160-2893
1zc8_1_A_1-59
1mvr_1_D_1-59
4c9d_1_D_29-1
4c9d_1_C_29-1
4adx_1_9_1-121
1zn1_1_B_1-59
1emi_1_B_1-108
3iy9_1_A_498-1027
1jgq_1_A_20-55
6rxt_1_C2_588-2383
1r2x_1_C_1-58
1r2w_1_C_1-58
1eg0_1_L_1-57
1eg0_1_L_1-56
1jgq_1_A_7-1518
1jgq_1_A_7-1515
1jgq_1_A_20-55
1jgq_1_A_2-1520
4v42_1_AA_20-55
1jgq_1_A_7-1515
4v42_1_AA_7-1518
4v42_1_AA_7-1515
4v42_1_AA_20-55
4v42_1_AA_2-1520
1jgo_1_A_20-55
4v42_1_AA_7-1515
1jgo_1_A_7-1518
1jgo_1_A_7-1515
1jgo_1_A_20-55
1jgo_1_A_2-1520
1jgp_1_A_20-55
1jgo_1_A_7-1515
1jgp_1_A_7-1518
1jgp_1_A_7-1515
1jgp_1_A_20-55
1jgp_1_A_2-1520
1jgp_1_A_7-1515
1zc8_1_A_1-59
1mvr_1_D_1-59
4c9d_1_D_29-1
4c9d_1_C_29-1
4adx_1_9_1-121
1zn1_1_B_1-59
1emi_1_B_1-108
3iy9_1_A_498-1027
3ep2_1_B_1-50
3eq3_1_B_1-50
3eq4_1_B_1-50
......@@ -139,18 +143,18 @@
3cw1_1_V_1-138
3cw1_1_v_1-138
2iy3_1_B_9-105
3jcr_1_N_1-106
3jcr_1_N_1-188
3jcr_1_N_1-106
2vaz_1_A_64-177
2ftc_1_R_81-1466
2ftc_1_R_1-1568
2ftc_1_R_792-1568
2ftc_1_R_81-1466
3jcr_1_M_1-141
3jcr_1_M_1-107
3jcr_1_M_1-188
4v5z_1_B0_1-2840
3jcr_1_M_1-107
4v5z_1_B0_1-2899
4v5z_1_B0_1-2902
4v5z_1_B0_1-2840
5g2x_1_A_595-692
3iy8_1_A_1-540
4v5z_1_BY_2-113
......@@ -159,9 +163,5 @@
4adx_1_0_1-2923
4adx_1_0_132-2915
3eq4_1_Y_1-69
4v5z_1_AA_1-1562
4v5z_1_AA_1-1563
6lqm_1_8_1267-4755
6lu8_1_8_1267-4755
6lsr_1_8_1267-4755
6lss_1_8_1267-4755
4v5z_1_AA_1-1562
......
......@@ -4,15 +4,15 @@ Could not find nucleotides of chain a in annotation 1ml5.json. Either there is a
1ml5_1_a_151-2903
Could not find nucleotides of chain a in annotation 1ml5.json. Either there is a problem with 1ml5 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1ml5_1_A_7-1518
Could not find nucleotides of chain A in annotation 1ml5.json. Either there is a problem with 1ml5 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1ml5_1_A_7-1515
Could not find nucleotides of chain A in annotation 1ml5.json. Either there is a problem with 1ml5 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1ml5_1_A_2-1520
Could not find nucleotides of chain A in annotation 1ml5.json. Either there is a problem with 1ml5 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1ml5_1_A_7-1518
Could not find nucleotides of chain A in annotation 1ml5.json. Either there is a problem with 1ml5 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1ml5_1_b_5-121
Could not find nucleotides of chain b in annotation 1ml5.json. Either there is a problem with 1ml5 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -25,15 +25,6 @@ DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A9_3-118.
4v47_1_A9_3-118
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A9_3-118.
1vy7_1_AY_1-73
Sequence is too short. (< 5 resolved nts)
1vy7_1_CY_1-73
Sequence is too short. (< 5 resolved nts)
4w2h_1_CY_1-73
Sequence is too short. (< 5 resolved nts)
6zmi_1_L8_1267-4755
Could not find nucleotides of chain L8 in annotation 6zmi.json. Either there is a problem with 6zmi mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -73,9 +64,21 @@ Could not find nucleotides of chain D in annotation 6om0.json. Either there is a
6y2l_1_L8_1267-4755
Could not find nucleotides of chain L8 in annotation 6y2l.json. Either there is a problem with 6y2l mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lqm_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lqm.json. Either there is a problem with 6lqm mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6y0g_1_L8_1267-4755
Could not find nucleotides of chain L8 in annotation 6y0g.json. Either there is a problem with 6y0g mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lu8_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lu8.json. Either there is a problem with 6lu8 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lsr_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lsr.json. Either there is a problem with 6lsr mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lss_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lss.json. Either there is a problem with 6lss mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6oli_1_D_1267-4755
Could not find nucleotides of chain D in annotation 6oli.json. Either there is a problem with 6oli mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -118,9 +121,21 @@ Could not find nucleotides of chain 1C in annotation 6ip6.json. Either there is
4v6x_1_A8_1267-4755
Could not find nucleotides of chain A8 in annotation 4v6x.json. Either there is a problem with 4v6x mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1vy7_1_AY_1-73
Sequence is too short. (< 5 resolved nts)
1vy7_1_CY_1-73
Sequence is too short. (< 5 resolved nts)
4w2h_1_CY_1-73
Sequence is too short. (< 5 resolved nts)
2z9q_1_A_1-72
DSSR warning 2z9q.json: no nucleotides found. Ignoring 2z9q_1_A_1-72.
4v42_1_BB_5-121
Could not find nucleotides of chain BB in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1ls2_1_B_1-73
DSSR warning 1ls2.json: no nucleotides found. Ignoring 1ls2_1_B_1-73.
......@@ -133,24 +148,108 @@ DSSR warning 3eq3.json: no nucleotides found. Ignoring 3eq3_1_Y_1-72.
4v48_1_A6_1-73
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A6_1-73.
1eg0_1_O_1-73
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_O_1-73.
1gsg_1_T_1-72
DSSR warning 1gsg.json: no nucleotides found. Ignoring 1gsg_1_T_1-72.
3jcr_1_H_1-115
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_H_1-115.
1eg0_1_O_1-73
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_O_1-73.
4v42_1_BB_5-121
Could not find nucleotides of chain BB in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v42_1_BA_1-2914
Could not find nucleotides of chain BA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v42_1_BA_151-2903
Could not find nucleotides of chain BA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_BA_1-91
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_1-91.
4v48_1_BA_6-1541
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_6-1541.
4v48_1_BA_1-1543
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_1-1543.
4v48_1_BA_6-1538
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_6-1538.
4v47_1_BA_1-91
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_1-91.
4v47_1_BA_6-1540
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_6-1540.
4v47_1_BA_1-1542
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_1-1542.
4v47_1_BA_6-1537
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_6-1537.
2rdo_1_B_1-2903
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-2903.
2rdo_1_B_6-1460
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_6-1460.
2rdo_1_B_1-1528
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-1528.
2rdo_1_B_6-1457
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_6-1457.
2rdo_1_B_160-2893
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_160-2893.
2rdo_1_B_1-2904
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-2904.
2rdo_1_B_6-1522
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_6-1522.
4v48_1_A0_1-2903
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-2903.
4v48_1_A0_6-1460
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_6-1460.
4v48_1_A0_1-1528
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-1528.
4v48_1_A0_6-1457
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_6-1457.
4v48_1_A0_160-2893
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_160-2893.
4v48_1_A0_1-2904
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-2904.
4v48_1_A0_6-1522
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_6-1522.
4v47_1_A0_1-2903
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-2903.
4v47_1_A0_6-1460
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_6-1460.
4v47_1_A0_1-1528
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-1528.
4v47_1_A0_6-1457
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_6-1457.
4v47_1_A0_160-2893
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_160-2893.
4v47_1_A0_1-2904
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-2904.
4v47_1_A0_6-1522
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_6-1522.
2ob7_1_A_10-319
DSSR warning 2ob7.json: no nucleotides found. Ignoring 2ob7_1_A_10-319.
......@@ -166,158 +265,119 @@ DSSR warning 1zc8.json: no nucleotides found. Ignoring 1zc8_1_Z_1-91.
2ob7_1_D_1-130
DSSR warning 2ob7.json: no nucleotides found. Ignoring 2ob7_1_D_1-130.
1r2x_1_C_1-58
DSSR warning 1r2x.json: no nucleotides found. Ignoring 1r2x_1_C_1-58.
1r2w_1_C_1-58
DSSR warning 1r2w.json: no nucleotides found. Ignoring 1r2w_1_C_1-58.
1eg0_1_L_1-56
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_L_1-56.
1eg0_1_L_1-57
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_L_1-57.
6rxu_1_C2_588-2386
Could not find nucleotides of chain C2 in annotation 6rxu.json. Either there is a problem with 6rxu mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxu_1_C2_588-2383
6rxu_1_C2_583-2388
Could not find nucleotides of chain C2 in annotation 6rxu.json. Either there is a problem with 6rxu mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxu_1_C2_583-2388
6rxu_1_C2_588-2383
Could not find nucleotides of chain C2 in annotation 6rxu.json. Either there is a problem with 6rxu mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
5oql_1_2_588-2386
Could not find nucleotides of chain 2 in annotation 5oql.json. Either there is a problem with 5oql mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
5oql_1_2_588-2383
5oql_1_2_583-2388
Could not find nucleotides of chain 2 in annotation 5oql.json. Either there is a problem with 5oql mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
5oql_1_2_583-2388
5oql_1_2_588-2383
Could not find nucleotides of chain 2 in annotation 5oql.json. Either there is a problem with 5oql mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxv_1_C2_588-2386
Could not find nucleotides of chain C2 in annotation 6rxv.json. Either there is a problem with 6rxv mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxv_1_C2_588-2383
6rxv_1_C2_583-2388
Could not find nucleotides of chain C2 in annotation 6rxv.json. Either there is a problem with 6rxv mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxv_1_C2_583-2388
6rxv_1_C2_588-2383
Could not find nucleotides of chain C2 in annotation 6rxv.json. Either there is a problem with 6rxv mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxz_1_C2_588-2386
Could not find nucleotides of chain C2 in annotation 6rxz.json. Either there is a problem with 6rxz mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxz_1_C2_588-2383
6rxz_1_C2_583-2388
Could not find nucleotides of chain C2 in annotation 6rxz.json. Either there is a problem with 6rxz mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxz_1_C2_583-2388
6rxz_1_C2_588-2383
Could not find nucleotides of chain C2 in annotation 6rxz.json. Either there is a problem with 6rxz mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxy_1_C2_588-2386
Could not find nucleotides of chain C2 in annotation 6rxy.json. Either there is a problem with 6rxy mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxy_1_C2_588-2383
6rxy_1_C2_583-2388
Could not find nucleotides of chain C2 in annotation 6rxy.json. Either there is a problem with 6rxy mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxy_1_C2_583-2388
6rxy_1_C2_588-2383
Could not find nucleotides of chain C2 in annotation 6rxy.json. Either there is a problem with 6rxy mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxt_1_C2_588-2386
Could not find nucleotides of chain C2 in annotation 6rxt.json. Either there is a problem with 6rxt mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxt_1_C2_588-2383
Could not find nucleotides of chain C2 in annotation 6rxt.json. Either there is a problem with 6rxt mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6rxt_1_C2_583-2388
Could not find nucleotides of chain C2 in annotation 6rxt.json. Either there is a problem with 6rxt mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_BA_1-91
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_1-91.
4v48_1_BA_6-1541
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_6-1541.
4v48_1_BA_6-1538
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_6-1538.
4v48_1_BA_1-1543
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_1-1543.
4v47_1_BA_1-91
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_1-91.
4v47_1_BA_6-1540
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_6-1540.
4v47_1_BA_6-1537
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_6-1537.
4v47_1_BA_1-1542
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_1-1542.
2rdo_1_B_6-1460
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_6-1460.
6rxt_1_C2_588-2383
Could not find nucleotides of chain C2 in annotation 6rxt.json. Either there is a problem with 6rxt mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
2rdo_1_B_6-1522
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_6-1522.
1r2x_1_C_1-58
DSSR warning 1r2x.json: no nucleotides found. Ignoring 1r2x_1_C_1-58.
2rdo_1_B_1-2903
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-2903.
1r2w_1_C_1-58
DSSR warning 1r2w.json: no nucleotides found. Ignoring 1r2w_1_C_1-58.
2rdo_1_B_6-1457
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_6-1457.
1eg0_1_L_1-57
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_L_1-57.
2rdo_1_B_1-2904
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-2904.
1eg0_1_L_1-56
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_L_1-56.
2rdo_1_B_1-1528
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-1528.
1jgq_1_A_7-1518
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
2rdo_1_B_160-2893
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_160-2893.
1jgq_1_A_20-55
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_6-1460
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_6-1460.
1jgq_1_A_2-1520
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_6-1522
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_6-1522.
1jgq_1_A_7-1515
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_1-2903
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-2903.
4v42_1_AA_7-1518
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_6-1457
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_6-1457.
4v42_1_AA_20-55
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_1-2904
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-2904.
4v42_1_AA_2-1520
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_1-1528
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-1528.
4v42_1_AA_7-1515
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v48_1_A0_160-2893
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_160-2893.
1jgo_1_A_7-1518
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_6-1460
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_6-1460.
1jgo_1_A_20-55
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_6-1522
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_6-1522.
1jgo_1_A_2-1520
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_1-2903
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-2903.
1jgo_1_A_7-1515
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_6-1457
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_6-1457.
1jgp_1_A_7-1518
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_1-2904
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-2904.
1jgp_1_A_20-55
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_1-1528
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-1528.
1jgp_1_A_2-1520
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v47_1_A0_160-2893
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_160-2893.
1jgp_1_A_7-1515
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1zc8_1_A_1-59
DSSR warning 1zc8.json: no nucleotides found. Ignoring 1zc8_1_A_1-59.
......@@ -343,54 +403,6 @@ DSSR warning 1emi.json: no nucleotides found. Ignoring 1emi_1_B_1-108.
3iy9_1_A_498-1027
DSSR warning 3iy9.json: no nucleotides found. Ignoring 3iy9_1_A_498-1027.
1jgq_1_A_20-55
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgq_1_A_7-1518
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgq_1_A_7-1515
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgq_1_A_2-1520
Could not find nucleotides of chain A in annotation 1jgq.json. Either there is a problem with 1jgq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v42_1_AA_20-55
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v42_1_AA_7-1518
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v42_1_AA_7-1515
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v42_1_AA_2-1520
Could not find nucleotides of chain AA in annotation 4v42.json. Either there is a problem with 4v42 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgo_1_A_20-55
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgo_1_A_7-1518
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgo_1_A_7-1515
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgo_1_A_2-1520
Could not find nucleotides of chain A in annotation 1jgo.json. Either there is a problem with 1jgo mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgp_1_A_20-55
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgp_1_A_7-1518
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgp_1_A_7-1515
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1jgp_1_A_2-1520
Could not find nucleotides of chain A in annotation 1jgp.json. Either there is a problem with 1jgp mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
3ep2_1_B_1-50
DSSR warning 3ep2.json: no nucleotides found. Ignoring 3ep2_1_B_1-50.
......@@ -421,35 +433,32 @@ DSSR warning 3cw1.json: no nucleotides found. Ignoring 3cw1_1_v_1-138.
2iy3_1_B_9-105
DSSR warning 2iy3.json: no nucleotides found. Ignoring 2iy3_1_B_9-105.
3jcr_1_N_1-106
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_N_1-106.
3jcr_1_N_1-188
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_N_1-188.
3jcr_1_N_1-106
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_N_1-106.
2vaz_1_A_64-177
DSSR warning 2vaz.json: no nucleotides found. Ignoring 2vaz_1_A_64-177.
2ftc_1_R_81-1466
DSSR warning 2ftc.json: no nucleotides found. Ignoring 2ftc_1_R_81-1466.
2ftc_1_R_1-1568
DSSR warning 2ftc.json: no nucleotides found. Ignoring 2ftc_1_R_1-1568.
2ftc_1_R_792-1568
DSSR warning 2ftc.json: no nucleotides found. Ignoring 2ftc_1_R_792-1568.
2ftc_1_R_81-1466
DSSR warning 2ftc.json: no nucleotides found. Ignoring 2ftc_1_R_81-1466.
3jcr_1_M_1-141
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_M_1-141.
3jcr_1_M_1-107
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_M_1-107.
3jcr_1_M_1-188
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_M_1-188.
4v5z_1_B0_1-2840
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_B0_1-2840.
3jcr_1_M_1-107
DSSR warning 3jcr.json: no nucleotides found. Ignoring 3jcr_1_M_1-107.
4v5z_1_B0_1-2899
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_B0_1-2899.
......@@ -457,6 +466,9 @@ DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_B0_1-2899.
4v5z_1_B0_1-2902
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_B0_1-2902.
4v5z_1_B0_1-2840
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_B0_1-2840.
5g2x_1_A_595-692
Sequence is too short. (< 5 resolved nts)
......@@ -481,21 +493,9 @@ DSSR warning 4adx.json: no nucleotides found. Ignoring 4adx_1_0_132-2915.
3eq4_1_Y_1-69
DSSR warning 3eq4.json: no nucleotides found. Ignoring 3eq4_1_Y_1-69.
4v5z_1_AA_1-1562
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_AA_1-1562.
4v5z_1_AA_1-1563
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_AA_1-1563.
6lqm_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lqm.json. Either there is a problem with 6lqm mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lu8_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lu8.json. Either there is a problem with 6lu8 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lsr_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lsr.json. Either there is a problem with 6lsr mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6lss_1_8_1267-4755
Could not find nucleotides of chain 8 in annotation 6lss.json. Either there is a problem with 6lss mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v5z_1_AA_1-1562
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_AA_1-1562.
......
......@@ -3,13 +3,8 @@ import subprocess, os, sys
# Put a list of problematic chains here, they will be properly deleted and recomputed
problems = [
"4v7f_1_1_4-3396",
"4v7f_1_1_1-3167",
"4v7f_1_1_1-3255",
"6g90_1_1_1-407",
"3q3z_1_A_1-74",
"3q3z_1_V_1-74",
"4v7f_1_3_1-121"
"4v9n_1_DA_1-2879",
"4v9n_1_DA_148-2875"
]
path_to_3D_data = sys.argv[1]
......
......@@ -613,7 +613,7 @@ if __name__ == "__main__":
p = Pool(initializer=init_worker, initargs=(tqdm.get_lock(),), processes=nworkers)
pbar = tqdm(total=len(joblist), desc="Stat jobs", position=0, leave=True)
sqlite3
try:
for j in joblist:
p.apply_async(j.func_, args=j.args_, callback=log_to_pbar(pbar))
......