typo in statistics.py + recomputation

Louis BECQUEY
Commit 72e8fc2f7afc78f81e1b99923f4af0db4f86ca7b 72e8fc2f 1 parent 97926e0b
Showing 4 changed files with 73 additions and 78 deletions
known_issues.txt
known_issues_reasons.txt
recompute_some_chains.py
statistics.py
--- a/known_issues.txt
View file @72e8fc2
+++ b/known_issues.txt
View file @72e8fc2
 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
+6rxt_1_C2_588-2383
-4v48_1_BA_6-1541
+1r2x_1_C_1-58
-4v48_1_BA_6-1538
+1r2w_1_C_1-58
-4v48_1_BA_1-1543
+1eg0_1_L_1-57
-4v47_1_BA_1-91
+1eg0_1_L_1-56
-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
 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
+4v5z_1_AA_1-1562
-6lu8_1_8_1267-4755
-6lsr_1_8_1267-4755
-6lss_1_8_1267-4755
--- a/known_issues_reasons.txt
View file @72e8fc2
+++ b/known_issues_reasons.txt
View file @72e8fc2
--- a/recompute_some_chains.py
View file @72e8fc2
+++ b/recompute_some_chains.py
View file @72e8fc2
@@ -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",
+"4v9n_1_DA_1-2879",
-"4v7f_1_1_1-3167",
+"4v9n_1_DA_148-2875"
-"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"
 ]
 path_to_3D_data = sys.argv[1]
--- a/statistics.py
View file @72e8fc2
+++ b/statistics.py
View file @72e8fc2
@@ -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))