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• 6be6fcc9ce update last dev lingyuzeng 2024-03-18 13:50:17 +08:00
• 3b74448f18 update lingyuzeng 2024-03-07 18:09:29 +08:00
• 7b1a0cddb3 add log_numbering_error lingyuzeng 2024-03-07 17:50:43 +08:00
• 9d9813cbfe update check_and_log_sequence_issues lingyuzeng 2024-03-07 17:25:44 +08:00
• 26552e81a5 update check_and_log_sequence_issues lingyuzeng 2024-03-07 17:10:13 +08:00
• b66761ad9b add ca_distances_median lingyuzeng 2024-03-07 16:28:20 +08:00
• eca3f45bd9 update extract_sequences lingyuzeng 2024-03-07 14:30:49 +08:00
• ced22ac37b add modify_residue_number and change logging lingyuzeng 2024-03-07 14:26:53 +08:00
• 74b31db5a5 add logging lingyuzeng 2024-03-07 14:17:57 +08:00
• 63eb5384f7 update lingyuzeng 2024-03-06 18:06:38 +08:00
• 6cc2fd0d18 update lingyuzeng 2024-03-06 18:06:29 +08:00
• ef30cc9908 use_pymol_align_merge args add lingyuzeng 2024-03-06 18:05:57 +08:00
• eaa1c6dd2b update lingyuzeng 2024-03-06 18:05:41 +08:00
• 3f8aa4a639 update lingyuzeng 2024-03-06 17:14:49 +08:00
• 887fb856d5 add contral args lingyuzeng 2024-03-06 17:13:58 +08:00
• c9efeda17e remove lingyuzeng 2024-03-06 14:57:17 +08:00
• fb32029a61 use GPU mdrun lingyuzeng 2024-02-22 11:02:40 +08:00
• 5e3198957b analysis_mut.ipynb lingyuzeng 2024-02-02 16:27:19 +08:00
• ac2c0ad23b update modify_residue_number and add batch_modify_residues lingyuzeng 2024-02-02 11:30:33 +08:00
• cacef78dfc add modify_residue_number lingyuzeng 2024-02-02 11:16:21 +08:00
• 155153581f update lingyuzeng 2024-02-01 15:30:01 +08:00
• 0a2e9445dd add test ipynb lingyuzeng 2024-01-31 16:45:34 +08:00
• f47533bd20 update lingyuzeng 2024-01-31 16:45:11 +08:00
• 82a546f57a add record lingyuzeng 2024-01-31 16:44:57 +08:00
• b667c16b8b add bak file lingyuzeng 2024-01-31 16:44:39 +08:00
• ed56355d55 extract_chains_to_new_pdb method lingyuzeng 2024-01-31 16:39:09 +08:00
• 95fed4983b 将cleanATOM保存为classmethod lingyuzeng 2024-01-31 16:36:42 +08:00
• 0612fa3e41 update record lingyuzeng 2024-01-26 15:41:50 +08:00
• b40325dd20 add update record lingyuzeng 2024-01-25 16:34:28 +08:00
• 8ac7246a3e add quick start lingyuzeng 2024-01-25 16:32:32 +08:00
• 8b2b38c4a9 update lingyuzeng 2024-01-25 16:09:07 +08:00
• 2649ed9ec6 update lingyuzeng 2024-01-25 15:44:35 +08:00
• cf912ebb74 udpate readme lingyuzeng 2024-01-25 15:43:52 +08:00
• f9be323d15 加入如果两端都没有-对齐时候产生的错误ali文件问题 lingyuzeng 2024-01-25 15:43:40 +08:00
• 804062bc7a change id root 2024-01-25 13:57:37 +08:00
• dc54997d3d update des root 2024-01-25 10:31:50 +08:00
• 324fda852c add pymol change_chain_identifier root 2024-01-25 10:31:33 +08:00
• d73dfe93f4 change config root 2024-01-24 17:14:37 +08:00
• 9c14c9356e update root 2024-01-24 17:14:16 +08:00
• 4cf2f808e5 add strip cut root 2024-01-24 17:14:02 +08:00
• 2758bfb72f update root 2024-01-24 17:13:37 +08:00
• 5defce997a update record root 2024-01-24 17:13:09 +08:00
• 0eb777cb24 add seaborn root 2024-01-23 13:49:24 +08:00
• 38a05ebab4 change env2 to env3 root 2024-01-22 15:42:47 +08:00
• 2f69994afa add align_sequences and find_non_dash_indices root 2024-01-22 15:41:51 +08:00
• 030ac240e0 change fasta_to_ali root 2024-01-22 15:40:58 +08:00
• 985dda0da7 update env root 2024-01-22 11:23:20 +08:00
• f007a9dfdb update env root 2024-01-22 11:19:00 +08:00
• b28d51162d add record root 2024-01-19 17:57:07 +08:00
• bcc21b5d36 update len in line 239 root 2024-01-19 16:31:55 +08:00
• 3400b6a3da add sequence_similarity func root 2024-01-19 16:31:30 +08:00
• 426bbddf95 use sequence_base.py root 2024-01-19 16:30:55 +08:00
• c27b484660 locate modeller pdb95.fsa file root 2024-01-19 16:30:08 +08:00
• 69a79f4188 update record root 2024-01-19 16:29:34 +08:00
• 16ec685ca9 add sequencebaseclass hotwa 2024-01-19 14:06:00 +08:00
• ae91117634 update record single hotwa 2024-01-19 14:05:12 +08:00
• b0e7d802ed update exclude file dir root 2024-01-18 18:10:25 +08:00
• d300702a15 add analysis code root 2024-01-18 18:10:01 +08:00
• 8064244f51 add 临时的复制文件脚本 root 2024-01-18 17:59:52 +08:00
• b76e113089 update root 2024-01-18 15:26:06 +08:00
• 62484f046e add update root 2024-01-18 14:44:07 +08:00
• eb05ccd960 update test file root 2024-01-18 14:43:51 +08:00
• 5ad2d91ed3 update root 2024-01-18 14:15:02 +08:00
• e72ca52bcd add record root 2024-01-18 11:36:30 +08:00
• cc702c8fec add fasta file handle; root 2024-01-18 11:33:36 +08:00
• dabb69c1af comment 复制修复完成文件到指定文件夹 root 2024-01-17 09:41:44 +08:00
• 349555f5bf big update root 2024-01-16 17:35:23 +08:00
• 504b7b4d5b use MAS to search fit sequence root 2024-01-16 15:39:26 +08:00
• bcf5445f04 update root 2024-01-16 15:38:51 +08:00
• 66062bead7 add use method root 2024-01-16 14:20:29 +08:00
• 7113cef7da add gpu use root 2024-01-15 11:12:56 +08:00
• 51e4273b81 change line 127 pid hotwa 2024-01-15 10:21:18 +08:00
• b655127432 update hotwa 2024-01-15 10:20:53 +08:00
• f2ae9423ea update hotwa 2024-01-15 10:20:39 +08:00
• c088094ab9 add 全局多进程调用modelbuilder.py root 2024-01-12 16:28:39 +08:00
• 36020e9e34 update log info hotwa 2024-01-12 11:27:04 +08:00
• 52ead0d941 change split dir hotwa 2024-01-12 11:21:17 +08:00
• f7bc06ba67 fix_loops hotwa 2024-01-12 11:19:56 +08:00
• 4f3daa855b chanage log hotwa 2024-01-12 11:19:30 +08:00
• 3a9a03e6c7 change split chain path and modellerfix file path hotwa 2024-01-12 10:52:34 +08:00
• ff5343789e add argparse hotwa 2024-01-12 10:40:55 +08:00
• c241916267 add no fix situation hotwa 2024-01-12 10:36:29 +08:00
• 722edbd4fc remove comment root 2024-01-12 09:36:26 +08:00
• 908cb9bcf1 update PDBAlign root 2024-01-11 18:10:01 +08:00
• 9b39738e9f add root 2024-01-11 18:09:14 +08:00
• 0495e71a23 add protein_structure (remove HETATM) hotwa 2024-01-11 16:24:40 +08:00
• 751f3280c9 add cleanATOM hotwa 2024-01-11 16:10:44 +08:00
• 5fa9cae3f2 add download ipynb root 2024-01-11 14:37:59 +08:00
• 23a1c7d424 update readme root 2024-01-11 14:37:37 +08:00
• e23905ce84 加强 log root 2024-01-11 11:04:38 +08:00
• 660f741274 change NUM_CORES root 2024-01-10 18:18:31 +08:00
• a937bd0334 update error handle hotwa 2024-01-10 09:47:01 +08:00
• fbb1fcf3f4 update hotwa 2024-01-09 13:18:23 +08:00
• a77f7dbb16 add log root 2024-01-09 10:39:22 +08:00
• 930acfe247 update to cwd hotwa 2024-01-09 10:11:43 +08:00
• 117bbf19c5 add gen top py script; hotwa 2024-01-09 10:10:31 +08:00
• baaf63f83a add cores args hotwa 2024-01-09 10:10:10 +08:00
• 27084ba28d singler process, singler gpu root 2024-01-05 15:11:27 +08:00
• 4de8d3ee88 assign cpu and gpu root 2024-01-05 14:23:02 +08:00
• b44ea7119a add root 2024-01-05 14:22:17 +08:00