Louis BECQUEY

integration details

......@@ -1200,11 +1200,13 @@ class Pipeline:
# Check for a list of known problems:
if os.path.isfile(runDir + "/known_issues.txt"):
with open(runDir + "/known_issues.txt", 'r') as issues:
self.known_issues = [x[:-1] for x in issues.readlines()]
if self.HOMOLOGY:
self.known_issues = [ x[:-1] for x in issues.readlines() if '-' in x ]
else:
self.known_issues = [ x[:-1] for x in issues.readlines() id not '-' in x ]
if self.USE_KNOWN_ISSUES:
print("\t> Ignoring known issues:")
for x in self.known_issues:
print("\t ", x)
print(" ".join(self.known_issues")
if self.HOMOLOGY:
# Ask Rfam if some are mapped to Rfam families
......@@ -1560,6 +1562,7 @@ class Pipeline:
if self.ARCHIVE:
os.makedirs(runDir + "/archive", exist_ok=True)
datestr = time.strftime('%Y%m%d')
subprocess.run(["rm", "-f", runDir + f"/archive/RNANET_datapoints_latest.tar.gz"])
subprocess.run(["tar", "-C", path_to_3D_data + "/datapoints", "-czf", runDir + f"/archive/RNANET_datapoints_{datestr}.tar.gz", "."])
subprocess.run(["ln", "-s", runDir + f"/archive/RNANET_datapoints_{datestr}.tar.gz", runDir + f"/archive/RNANET_datapoints_latest.tar.gz"])
......
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6dp3_1_B
6dp4_1_B
6dp5_1_B
6dp6_1_B
6dp7_1_B
6dp8_1_B
6dp9_1_B
6dpa_1_B
6dpb_1_B
6dpc_1_B
6dpd_1_B
6dpe_1_B
6dpf_1_B
6dpg_1_B
6dph_1_B
6dpi_1_B
6dpj_1_B
6dpk_1_B
6dpl_1_B
6dpm_1_B
6dpn_1_B
6dpo_1_B
6dpp_1_B
6dti_1_W
6dzi_1_H
6e0o_1_B
6e0o_1_C
6e4p_1_J
6e4p_1_K
6een_1_G
6een_1_I
6een_1_H
4wti_1_T
4wti_1_P
5l3p_1_Y
4hor_1_X
3rzo_1_R
2f4v_1_Z
1qln_1_R
2xs7_1_B
6zvi_1_E
6sv4_1_MC
6sv4_1_MB
6een_1_I
6enf_1_X
6enj_1_X
6enu_1_X
6eri_1_AX
6evj_1_M
6evj_1_N
6fqr_1_C
6ftg_1_U
6ftg_1_V
6ftg_1_W
6fti_1_Q
6fti_1_U
6fti_1_V
6fti_1_W
6ftj_1_U
6ftj_1_V
6ftj_1_W
6gc5_1_F
6gc5_1_G
6gc5_1_H
6gfw_1_R
6gwt_1_X
6gx6_1_B
6gxm_1_X
6gxn_1_X
6gxo_1_X
6gz3_1_BV
6gz3_1_BW
6gz4_1_BV
6gz4_1_BW
6gz5_1_BV
6gz5_1_BW
6h4n_1_W
6h58_1_W
6h58_1_WW
6ha1_1_X
6ha8_1_X
6hcj_1_Q3
6hcq_1_Q3
6hhq_1_SR
6htq_1_U
6htq_1_V
6htq_1_W
6hxx_1_AA
6hxx_1_AB
6hxx_1_AC
6hxx_1_AD
6hxx_1_AE
6hxx_1_AF
6hxx_1_AG
6hxx_1_AH
6hxx_1_AI
6hxx_1_AJ
6hxx_1_AK
6hxx_1_AL
6hxx_1_AM
6hxx_1_AN
6hxx_1_AO
6hxx_1_AP
6hxx_1_AQ
6hxx_1_AR
6hxx_1_AS
6hxx_1_AT
6hxx_1_AU
6hxx_1_AV
6hxx_1_AW
6hxx_1_AX
6hxx_1_AY
6hxx_1_AZ
6hxx_1_BA
6hxx_1_BB
6hxx_1_BC
6hxx_1_BD
6hxx_1_BE
6hxx_1_BF
6hxx_1_BG
6hxx_1_BH
6hxx_1_BI
6hyu_1_D
6i0t_1_B
6i0u_1_B
6i0v_1_B
6i2n_1_U
6i7o_1_2B
6i7o_1_L
6i7o_1_M
6i7o_1_MB
6i7o_1_N
6i7o_1_NB
6ij2_1_E
6ij2_1_F
6ij2_1_G
6ij2_1_H
6ip5_1_2M
6ip5_1_ZU
6ip5_1_ZY
6ip6_1_2M
6ip6_1_ZY
6ip6_1_ZZ
6ip8_1_2M
6ip8_1_ZY
6ip8_1_ZZ
6is0_1_C
6j7z_1_C
6k32_1_P
6k32_1_T
6kqd_1_I
6kqd_1_S
6kqe_1_I
6kql_1_I
6kr6_1_B
6ktc_1_V
6kug_1_B
6l74_1_I
6lkq_1_S
6lkq_1_T
6lkq_1_U
6lkq_1_W
6m6v_1_E
6m6v_1_F
6m6v_1_G
6m7k_1_B
6mkn_1_W
6mpf_1_W
6mpi_1_W
6n6a_1_D
6n6c_1_D
6n6d_1_D
6n6e_1_D
6n6f_1_D
6n6g_1_D
6n6h_1_D
6n6i_1_C
6n6i_1_D
6n6j_1_C
6n6j_1_D
6n6k_1_C
6n6k_1_D
6n9e_1_1X
6n9e_1_2W
6n9e_1_2X
6n9f_1_1X
6n9f_1_2X
6nd5_1_1W
6nd5_1_1X
6nd5_1_1Y
6nd5_1_2W
6nd5_1_2X
6nd5_1_2Y
6nd6_1_1W
6nd6_1_1X
6nd6_1_1Y
6nd6_1_2W
6nd6_1_2X
6nd6_1_2Y
6nu2_1_U
6nu3_1_U
6o6v_1_C
6o6v_1_D
6o6x_1_C
6o6x_1_D
6o75_1_C
6o75_1_D
6o78_1_E
6o79_1_C
6o7b_1_C
6o7b_1_D
6o7h_1_K
6o7i_1_I
6o7k_1_G
6o7k_1_V
6o8w_1_U
6o97_1_1W
6o97_1_1X
6o97_1_1Y
6o97_1_2W
6o97_1_2X
6o97_1_2Y
6o9j_1_V
6o9k_1_Y
6of1_1_1W
6of1_1_1X
6of1_1_1Y
6of1_1_2W
6of1_1_2X
6of1_1_2Y
6ogy_1_M
6ogy_1_N
6uej_1_B
1x18_1_A
5ytx_1_B
6o8w_1_U
4g0a_1_H
6r9p_1_B
3koa_1_C
4n48_1_D
4n48_1_G
6kug_1_B
6ktc_1_V
6okk_1_G
6ole_1_T
6ole_1_U
6om0_1_U
6ole_1_V
6olf_1_T
6olf_1_U
6olf_1_V
6olg_1_BV
6oli_1_T
6oli_1_U
6om7_1_U
6w6l_1_U
6oli_1_V
6olz_1_BV
6olf_1_U
5lzd_1_X
6m7k_1_B
3cd6_1_4
3cma_1_5
6n9e_1_2W
1vqo_1_4
1qvg_1_3
3cme_1_5
5lzd_1_W
5lze_1_W
5lzc_1_W
5lzb_1_W
3wzi_1_C
1mvr_1_E
1mvr_1_B
1mvr_1_A
4adx_1_0
4adx_1_8
1n33_1_Z
6dti_1_W
3d2s_1_F
3d2s_1_H
5mrc_1_AA
5mre_1_AA
5mrf_1_AA
5fl8_1_Y
5jcs_1_Y
2r1g_1_A
2r1g_1_D
2r1g_1_F
3eq4_1_Y
4wkr_1_C
4v99_1_EC
4v99_1_AC
4v99_1_BH
4v99_1_CH
4v99_1_AM
4v99_1_DC
4v99_1_JW
4v99_1_EH
4v99_1_BW
4v99_1_FW
4v99_1_AW
4v99_1_BC
4v99_1_BM
4v99_1_IC
4v99_1_EM
4v99_1_ER
4v99_1_IW
4v99_1_JH
4v99_1_JR
4v99_1_AH
4v99_1_GR
4v99_1_IR
4v99_1_BR
4v99_1_CW
4v99_1_HR
4v99_1_FH
4v99_1_HC
4v99_1_DW
4v99_1_GC
4v99_1_JC
4v99_1_DM
4v99_1_EW
4v99_1_AR
4v99_1_CR
4v99_1_JM
4v99_1_CC
4v99_1_IH
4v99_1_FR
4v99_1_CM
4v99_1_IM
4v99_1_FM
4v99_1_FC
4v99_1_GH
4v99_1_HM
4v99_1_HH
4v99_1_DR
4v99_1_HW
4v99_1_GW
4v99_1_DH
4v99_1_GM
6rt4_1_D
6rt4_1_C
6zvh_1_X
4dwa_1_D
6n6c_1_D
6n6j_1_C
6n6j_1_D
6om0_1_T
6om0_1_U
6om0_1_V
6om7_1_T
6om7_1_U
6om7_1_V
6ov0_1_E
6ov0_1_F
6ov0_1_G
6ov0_1_H
6ovy_1_I
6ow3_1_I
6owl_1_B
6owl_1_C
6oy5_1_I
6oy6_1_I
6p71_1_I
6p7p_1_D
6p7p_1_E
6p7p_1_F
6p7q_1_D
6p7q_1_E
6p7q_1_F
6p7q_1_D
6rcl_1_C
5jju_1_C
4ejt_1_G
5ceu_1_C
5ceu_1_D
6lkq_1_W
3qsu_1_P
3qsu_1_R
1n38_1_B
4qvc_1_G
6pb4_1_3
6pmi_1_3
6pmj_1_3
6ppn_1_A
6ppn_1_I
6q1h_1_D
6q1h_1_H
6p7p_1_F
6p7p_1_E
6p7p_1_D
6vm6_1_J
6q8y_1_M
6q8y_1_N
6qcs_1_M
6qdw_1_A
6qdw_1_B
6qdw_1_V
6qik_1_X
6qik_1_Y
6qt0_1_X
6qt0_1_Y
6qtz_1_X
6qtz_1_Y
6qx3_1_G
6r7b_1_D
6r7b_1_E
6r9m_1_B
6r9o_1_B
6r9p_1_B
6r9q_1_B
6r9r_1_D
6r9r_1_E
6raz_1_Y
6rcl_1_C
6ri5_1_X
6ri5_1_Y
6rt4_1_C
6rt4_1_D
6rt5_1_A
6rt5_1_E
6rt6_1_A
6rt6_1_E
6rt7_1_A
6rt7_1_E
6rzz_1_X
6rzz_1_Y
6s05_1_X
6s05_1_Y
6s0m_1_C
6sag_1_R
6sce_1_B
6scf_1_I
6scf_1_K
6scf_1_L
6scf_1_M
6skf_1_AA
6skg_1_AA
6spc_1_A
6spe_1_A
6sty_1_C
6sty_1_F
6sv4_1_2B
6sv4_1_2C
6sv4_1_MB
6sv4_1_MC
6sv4_1_N
6sv4_1_NB
6sv4_1_NC
6swa_1_Q
6swa_1_R
6swa_1_S
6szs_1_X
6t34_1_A
6t34_1_B
6t34_1_C
6t34_1_D
6t34_1_E
6t34_1_F
6t34_1_G
6t34_1_H
6t34_1_I
6t34_1_J
6t34_1_K
6t34_1_L
6t34_1_M
6t34_1_N
6t34_1_O
6t34_1_P
6t34_1_Q
6t34_1_R
6t34_1_S
6t83_1_1B
6t83_1_2B
6t83_1_3B
6t83_1_4B
6t83_1_6B
6t83_1_A
6t83_1_AA
6t83_1_BB
6t83_1_CA
6tb3_1_N
6th6_1_AA
6tnu_1_M
6tnu_1_N
6ty9_1_M
6tz1_1_N
6u6y_1_E
6u6y_1_F
6u6y_1_G
6u6y_1_H
6u9x_1_H
6u9x_1_K
6ucq_1_1X
6ucq_1_1Y
6ucq_1_2X
6ucq_1_2Y
6uej_1_B
6uo1_1_1W
6uo1_1_1X
6uo1_1_1Y
6uo1_1_2W
6uo1_1_2X
6uo1_1_2Y
6utw_1_333
6uu0_1_333
6uu1_1_333
6uu2_1_333
6uu3_1_333
6uu4_1_333
6uu6_1_333
6uuc_1_333
6uz7_1_8_2140-2827
6v39_1_SN1
6v39_1_V
6v3a_1_SN1
6v3a_1_V
6v3b_1_SN1
6v3e_1_SN1
6vm6_1_G
6wan_1_K
6wan_1_H
6vm6_1_H
6vm6_1_I
6vm6_1_J
6vm6_1_K
6vyt_1_Y
6vyu_1_Y
6vyw_1_Y
6vyx_1_Y
6vyy_1_Y
6vyz_1_Y
6vz2_1_Y
6vz3_1_Y
6vz5_1_Y
6vz7_1_Y
6w6l_1_T
6w6l_1_U
6w6l_1_V
6wan_1_G
6wan_1_L
6wan_1_H
6wan_1_I
6ywo_1_F
6wan_1_J
4oau_1_A
6wan_1_K
6wan_1_L
6wox_1_I
6woy_1_I
6wre_1_D
6x1b_1_D
6x1b_1_F
6xqd_1_1X
6xqd_1_2X
6xqe_1_1X
6xqe_1_2X
6xz7_1_F
6xz7_1_G
6y69_1_W
6ybv_1_K
6ybv_1_W
6ys3_1_A
6ys3_1_B
6ys3_1_V
6ysr_1_W
6yss_1_W
6yst_1_W
6ysu_1_W
6yud_1_K
6yud_1_M
6yud_1_O
6yud_1_P
6yud_1_Q
6ywo_1_E
6ywo_1_K
6vm6_1_I
6vm6_1_H
6ywo_1_F
6ywo_1_I
2a1r_1_C
2a1r_1_D
3gpq_1_E
3gpq_1_F
6o79_1_C
6vm6_1_K
6hyu_1_D
1laj_1_R
6ybv_1_K
6mpf_1_W
6spc_1_A
6spe_1_A
6fti_1_V
6ftj_1_V
6ftg_1_V
4g0a_1_G
4g0a_1_F
4g0a_1_E
2b2d_1_S
5hkc_1_C
1rmv_1_B
4qu7_1_X
4qu7_1_V
4qu7_1_U
4v5z_1_AH
4v5z_1_AA
4v5z_1_AB
4v5z_1_AC
4v5z_1_AD
4v5z_1_AE
4v5z_1_AF
4v5z_1_AG
6pmi_1_3
6pmj_1_3
5hjz_1_C
6ywo_1_K
6z1p_1_AA
6z1p_1_AB
6z1p_1_BA
6z1p_1_BB
6z8k_1_X
6zmw_1_W
6zvh_1_X
6zvi_1_D
6zvi_1_E
6zvi_1_H
7jql_1_1X
7jql_1_2X
7jqm_1_1X
7jqm_1_2X
7jyy_1_E
7jyy_1_F
7jz0_1_E
7jz0_1_F
7k00_1_5
7k00_1_B
......
1eg0_1_O_1-73
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_O_1-73.
2rdo_1_A_3-118
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_A_3-118.
4v48_1_A9_3-118
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)
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_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_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_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.
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.
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.
1ml5_1_a_1-2914
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.
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.
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.
2rdo_1_B_1-2904
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-2904.
4v48_1_A0_1-2904
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-2904.
4v47_1_A0_1-2904
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-2904.
1ml5_1_a_1-2914
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.
4v48_1_BA_1-1543
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_1-1543.
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.
4v47_1_BA_1-1542
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_1-1542.
2z9q_1_A_1-72
DSSR warning 2z9q.json: no nucleotides found. Ignoring 2z9q_1_A_1-72.
1ls2_1_B_1-73
DSSR warning 1ls2.json: no nucleotides found. Ignoring 1ls2_1_B_1-73.
......@@ -73,15 +22,33 @@ 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.
2z9q_1_A_1-72
DSSR warning 2z9q.json: no nucleotides found. Ignoring 2z9q_1_A_1-72.
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.
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)
2rdo_1_A_3-118
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_A_3-118.
4v48_1_A9_3-118
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.
2ob7_1_A_10-319
DSSR warning 2ob7.json: no nucleotides found. Ignoring 2ob7_1_A_10-319.
1x1l_1_A_1-132
DSSR warning 1x1l.json: no nucleotides found. Ignoring 1x1l_1_A_1-132.
......@@ -91,8 +58,20 @@ DSSR warning 1zc8.json: no nucleotides found. Ignoring 1zc8_1_Z_1-93.
2ob7_1_D_1-132
DSSR warning 2ob7.json: no nucleotides found. Ignoring 2ob7_1_D_1-132.
2ob7_1_A_10-319
DSSR warning 2ob7.json: no nucleotides found. Ignoring 2ob7_1_A_10-319.
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.
2rdo_1_B_1-2904
DSSR warning 2rdo.json: no nucleotides found. Ignoring 2rdo_1_B_1-2904.
4v48_1_A0_1-2904
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_A0_1-2904.
4v47_1_A0_1-2904
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_A0_1-2904.
1r2x_1_C_1-58
DSSR warning 1r2x.json: no nucleotides found. Ignoring 1r2x_1_C_1-58.
......@@ -103,9 +82,18 @@ 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.
4v48_1_BA_1-1543
DSSR warning 4v48.json: no nucleotides found. Ignoring 4v48_1_BA_1-1543.
4v47_1_BA_1-1542
DSSR warning 4v47.json: no nucleotides found. Ignoring 4v47_1_BA_1-1542.
1zc8_1_A_1-59
DSSR warning 1zc8.json: no nucleotides found. Ignoring 1zc8_1_A_1-59.
1eg0_1_O_1-73
DSSR warning 1eg0.json: no nucleotides found. Ignoring 1eg0_1_O_1-73.
1mvr_1_D_1-61
DSSR warning 1mvr.json: no nucleotides found. Ignoring 1mvr_1_D_1-61.
......@@ -115,6 +103,18 @@ DSSR warning 4adx.json: no nucleotides found. Ignoring 4adx_1_9_1-123.
1zn1_1_B_1-59
DSSR warning 1zn1.json: no nucleotides found. Ignoring 1zn1_1_B_1-59.
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_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_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_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.
1emi_1_B_1-108
DSSR warning 1emi.json: no nucleotides found. Ignoring 1emi_1_B_1-108.
......@@ -583,6 +583,9 @@ Could not find nucleotides of chain U in annotation 6lkq.json. Either there is a
7k00_1_B
Could not find nucleotides of chain B in annotation 7k00.json. Either there is a problem with 7k00 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6ys3_1_A
Could not find nucleotides of chain A in annotation 6ys3.json. Either there is a problem with 6ys3 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6qdw_1_A
Could not find nucleotides of chain A in annotation 6qdw.json. Either there is a problem with 6qdw mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -1000,6 +1003,9 @@ Sequence is too short. (< 5 resolved nts)
6lkq_1_T
Could not find nucleotides of chain T in annotation 6lkq.json. Either there is a problem with 6lkq mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6ys3_1_B
Could not find nucleotides of chain B in annotation 6ys3.json. Either there is a problem with 6ys3 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6qdw_1_B
Could not find nucleotides of chain B in annotation 6qdw.json. Either there is a problem with 6qdw mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -1379,7 +1385,7 @@ Sequence is too short. (< 5 resolved nts)
Sequence is too short. (< 5 resolved nts)
1cwp_1_E
Could not download and/or find annotations for 1cwp_1_E.
Sequence is too short. (< 5 resolved nts)
6qik_1_Y
Could not find nucleotides of chain Y in annotation 6qik.json. Either there is a problem with 6qik mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -1540,8 +1546,11 @@ Could not find nucleotides of chain NC in annotation 6sv4.json. Either there is
6i7o_1_NB
Could not find nucleotides of chain NB in annotation 6i7o.json. Either there is a problem with 6i7o mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
5y88_1_X
Could not find nucleotides of chain X in annotation 5y88.json. Either there is a problem with 5y88 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6swa_1_Q
Could not find nucleotides of chain Q in annotation 6swa.json. Either there is a problem with 6swa mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6swa_1_R
Could not find nucleotides of chain R in annotation 6swa.json. Either there is a problem with 6swa mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
3j6x_1_IR
Could not find nucleotides of chain IR in annotation 3j6x.json. Either there is a problem with 3j6x mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -2236,9 +2245,6 @@ DSSR warning 2r1g.json: no nucleotides found. Ignoring 2r1g_1_B.
4ht9_1_E
Sequence is too short. (< 5 resolved nts)
1cvj_1_M
Could not download and/or find annotations for 1cvj_1_M.
6z1p_1_AB
Could not find nucleotides of chain AB 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.
......@@ -2338,6 +2344,9 @@ Could not find nucleotides of chain N in annotation 6sv4.json. Either there is a
6i7o_1_N
Could not find nucleotides of chain N in annotation 6i7o.json. Either there is a problem with 6i7o mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6swa_1_S
Could not find nucleotides of chain S in annotation 6swa.json. Either there is a problem with 6swa mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
5k8h_1_A
Sequence is too short. (< 5 resolved nts)
......@@ -2677,9 +2686,6 @@ DSSR warning 1zn1.json: no nucleotides found. Ignoring 1zn1_1_B.
6z8k_1_X
Sequence is too short. (< 5 resolved nts)
1cvj_1_Q
Could not download and/or find annotations for 1cvj_1_Q.
4csf_1_U
Could not find nucleotides of chain U in annotation 4csf.json. Either there is a problem with 4csf mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -2716,24 +2722,6 @@ Could not find nucleotides of chain O in annotation 4csf.json. Either there is a
4csf_1_E
Could not find nucleotides of chain E in annotation 4csf.json. Either there is a problem with 4csf mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1cvj_1_N
Could not download and/or find annotations for 1cvj_1_N.
1cvj_1_O
Could not download and/or find annotations for 1cvj_1_O.
1cvj_1_S
Could not download and/or find annotations for 1cvj_1_S.
1cvj_1_P
Could not download and/or find annotations for 1cvj_1_P.
1cvj_1_T
Could not download and/or find annotations for 1cvj_1_T.
1cvj_1_R
Could not download and/or find annotations for 1cvj_1_R.
6th6_1_AA
Could not find nucleotides of chain AA in annotation 6th6.json. Either there is a problem with 6th6 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -2957,7 +2945,7 @@ Sequence is too short. (< 5 resolved nts)
DSSR warning 2iy3.json: no nucleotides found. Ignoring 2iy3_1_B.
1cwp_1_F
Could not download and/or find annotations for 1cwp_1_F.
Sequence is too short. (< 5 resolved nts)
5z4j_1_B
Sequence is too short. (< 5 resolved nts)
......@@ -3271,6 +3259,12 @@ Could not find nucleotides of chain II in annotation 5lzs.json. Either there is
6fqr_1_C
Sequence is too short. (< 5 resolved nts)
2atw_1_B
2atw_1_D
6ha1_1_X
Could not find nucleotides of chain X in annotation 6ha1.json. Either there is a problem with 6ha1 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -3523,6 +3517,9 @@ Sequence is too short. (< 5 resolved nts)
4v5z_1_BC
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BC.
5y88_1_X
Could not find nucleotides of chain X in annotation 5y88.json. Either there is a problem with 5y88 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v5z_1_BB
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BB.
......@@ -3572,7 +3569,7 @@ Could not find nucleotides of chain A in annotation 3j0q.json. Either there is a
Could not find nucleotides of chain A in annotation 3j0p.json. Either there is a problem with 3j0p mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
1cwp_1_D
Could not download and/or find annotations for 1cwp_1_D.
Sequence is too short. (< 5 resolved nts)
4v5z_1_BJ
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BJ.
......@@ -3604,6 +3601,9 @@ Sequence is too short. (< 5 resolved nts)
6ppn_1_I
Sequence is too short. (< 5 resolved nts)
6ys3_1_V
Could not find nucleotides of chain V in annotation 6ys3.json. Either there is a problem with 6ys3 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
6qdw_1_V
Could not find nucleotides of chain V in annotation 6qdw.json. Either there is a problem with 6qdw mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -3715,6 +3715,9 @@ Could not find nucleotides of chain BB in annotation 5mrf.json. Either there is
6gz4_1_BW
Could not find nucleotides of chain BW in annotation 6gz4.json. Either there is a problem with 6gz4 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
4v5z_1_BN
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BN.
3j46_1_P
Could not find nucleotides of chain P in annotation 3j46.json. Either there is a problem with 3j46 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
......@@ -4063,6 +4066,18 @@ Could not find nucleotides of chain V in annotation 6v3a.json. Either there is a
6v39_1_V
Could not find nucleotides of chain V in annotation 6v39.json. Either there is a problem with 6v39 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
2az0_1_C
2az0_1_D
2az2_1_C
2az2_1_D
Could not find nucleotides of chain D in annotation 2az2.json. Either there is a problem with 2az2 mmCIF download, or the bases are not resolved in the structure. Delete it and retry.
5a0v_1_F
Sequence is too short. (< 5 resolved nts)
......@@ -4117,9 +4132,6 @@ DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BV.
4v5z_1_BO
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BO.
4v5z_1_BN
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BN.
4v5z_1_BQ
DSSR warning 4v5z.json: no nucleotides found. Ignoring 4v5z_1_BQ.
......@@ -4714,6 +4726,12 @@ Sequence is too short. (< 5 resolved nts)
2a1r_1_C
Sequence is too short. (< 5 resolved nts)
6m6v_1_F
Sequence is too short. (< 5 resolved nts)
6m6v_1_E
Sequence is too short. (< 5 resolved nts)
2a1r_1_D
Sequence is too short. (< 5 resolved nts)
......@@ -4729,6 +4747,9 @@ Sequence is too short. (< 5 resolved nts)
6vm6_1_K
Sequence is too short. (< 5 resolved nts)
6m6v_1_G
Sequence is too short. (< 5 resolved nts)
6hyu_1_D
Sequence is too short. (< 5 resolved nts)
......
......@@ -4,17 +4,19 @@ cd /home/lbecquey/Projects/RNANet
rm -rf latest_run.log errors.txt
# Run RNANet
bash -c 'time ./RNAnet.py --3d-folder /home/lbecquey/Data/RNA/3D/ --seq-folder /home/lbecquey/Data/RNA/sequences/ -r 20.0 -s --archive' &> latest_run.log
bash -c 'time ./RNAnet.py --3d-folder /home/lbecquey/Data/RNA/3D/ --seq-folder /home/lbecquey/Data/RNA/sequences/ -r 20.0 --extract -s --archive' > latest_run.log 2>&1
echo 'Compressing RNANet.db.gz...' >> latest_run.log
touch results/RNANet.db # update last modification date
gzip -k /home/lbecquey/Projects/RNANet/results/RNANet.db # compress it
rm -f results/RNANet.db-wal results/RNANet.db-shm # SQLite temporary files
# Save the latest results
export DATE=`printf '%(%Y%m%d)T'`
export DATE=`date +%Y%m%d`
echo "Creating new release in ./archive/ folder ($DATE)..." >> latest_run.log
cp /home/lbecquey/Projects/RNANet/results/summary.csv /home/lbecquey/Projects/RNANet/archive/summary_latest.csv
cp /home/lbecquey/Projects/RNANet/results/summary.csv /home/lbecquey/Projects/RNANet/archive/summary_$DATE.csv
cp /home/lbecquey/Projects/RNANet/results/summary.csv "/home/lbecquey/Projects/RNANet/archive/summary_$DATE.csv"
cp /home/lbecquey/Projects/RNANet/results/families.csv /home/lbecquey/Projects/RNANet/archive/families_latest.csv
cp /home/lbecquey/Projects/RNANet/results/families.csv /home/lbecquey/Projects/RNANet/archive/families_$DATE.csv
cp /home/lbecquey/Projects/RNANet/results/families.csv "/home/lbecquey/Projects/RNANet/archive/families_$DATE.csv"
cp /home/lbecquey/Projects/RNANet/results/frequencies.csv /home/lbecquey/Projects/RNANet/archive/frequencies_latest.csv
cp /home/lbecquey/Projects/RNANet/results/pair_types.csv /home/lbecquey/Projects/RNANet/archive/pair_types_latest.csv
mv /home/lbecquey/Projects/RNANet/results/RNANet.db.gz /home/lbecquey/Projects/RNANet/archive/
......