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gidb_dev

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• e21635fe02 inlcuded the revised master file for 35k isolates Tanushree Tunstall 2020-06-16 11:39:11 +01:00
• 96da4d8ed5 inlcuded the revised master file for 35k isolates Tanushree Tunstall 2020-06-16 11:39:11 +01:00
• e2f319ba42 various debug, doc, and args Tanushree Tunstall 2020-05-25 14:27:25 +01:00
• b28d0afded various debug, doc, and args Tanushree Tunstall 2020-05-25 14:27:25 +01:00
• f6fc6e47ab added scratch/ Tanushree Tunstall 2020-05-22 12:03:11 +01:00
• 3a0ff9b35e added scratch/ Tanushree Tunstall 2020-05-22 12:03:11 +01:00
• 3fe1d35df5 building script for inspecting pdb Tanushree Tunstall 2020-05-22 11:57:59 +01:00
• 73762568e8 building script for inspecting pdb Tanushree Tunstall 2020-05-22 11:57:59 +01:00
• ca36e004c1 fixing hetatm script Tanushree Tunstall 2020-05-21 12:54:10 +01:00
• bdad2dcfda fixing hetatm script Tanushree Tunstall 2020-05-21 12:54:10 +01:00
• 15dea0cbf6 added script for pairwise alignment Tanushree Tunstall 2020-05-15 17:58:14 +01:00
• bc368be4b7 added script for pairwise alignment Tanushree Tunstall 2020-05-15 17:58:14 +01:00
• 548d9a5192 tidy up code Tanushree Tunstall 2020-05-15 13:48:50 +01:00
• cf3e507475 tidy up code Tanushree Tunstall 2020-05-15 13:48:50 +01:00
• f7e371a585 script for saving pdb chains in single file Tanushree Tunstall 2020-05-15 13:44:57 +01:00
• f28b287c86 script for saving pdb chains in single file Tanushree Tunstall 2020-05-15 13:44:57 +01:00
• 01a7cbf26e renamed extract chain file Tanushree Tunstall 2020-05-15 10:59:19 +01:00
• bc2844dffb renamed extract chain file Tanushree Tunstall 2020-05-15 10:59:19 +01:00
• 65db4a090e added pdb_chain splitter code and wrapper Tanushree Tunstall 2020-05-13 16:54:20 +01:00
• ea213d09aa added pdb_chain splitter code and wrapper Tanushree Tunstall 2020-05-13 16:54:20 +01:00
• 3425d8fa2b added pdbtools from github source and modified seq.py to exclude hetatm seq extraction Tanushree Tunstall 2020-05-12 14:08:08 +01:00
• 6b527baaff added pdbtools from github source and modified seq.py to exclude hetatm seq extraction Tanushree Tunstall 2020-05-12 14:08:08 +01:00
• 7f66d5d19e adding commands for use of pdbtools Tanushree Tunstall 2020-05-12 12:50:49 +01:00
• 5ac87e76c7 adding commands for use of pdbtools Tanushree Tunstall 2020-05-12 12:50:49 +01:00
• b28d866237 handle not ready (refresh) url Please enter the commit message for your changes. Lines starting Tanushree Tunstall 2020-04-21 17:12:18 +01:00
• 1d84846789 handle not ready (refresh) url Please enter the commit message for your changes. Lines starting Tanushree Tunstall 2020-04-21 17:12:18 +01:00
• a405aa17c3 moved scripts to /ind_scripts & added add col to formatting script Tanushree Tunstall 2020-04-20 12:52:10 +01:00
• 8b1a7fc71c moved scripts to /ind_scripts & added add col to formatting script Tanushree Tunstall 2020-04-20 12:52:10 +01:00
• e94da61871 fixed indentation error and ran mcsm_wrapper dcs Tanushree Tunstall 2020-04-17 12:19:08 +01:00
• 368496733a fixed indentation error and ran mcsm_wrapper dcs Tanushree Tunstall 2020-04-17 12:19:08 +01:00
• e50466da39 add wrapper and mcsm library Tanushree Tunstall 2020-04-16 17:45:24 +01:00
• bc03aab82d add wrapper and mcsm library Tanushree Tunstall 2020-04-16 17:45:24 +01:00
• 7aafa72e10 defined method for formatting mcsm_results Tanushree Tunstall 2020-04-14 11:30:36 +01:00
• 23c2ddf45f defined method for formatting mcsm_results Tanushree Tunstall 2020-04-14 11:30:36 +01:00
• 45889990e7 saving work for the day Tanushree Tunstall 2020-04-11 19:00:39 +01:00
• 8b7ccccc49 saving work for the day Tanushree Tunstall 2020-04-11 19:00:39 +01:00
• 7d2241ad81 added lambda func to normalise duet and aff values Tanushree Tunstall 2020-04-11 18:52:57 +01:00
• fb7588cedf added lambda func to normalise duet and aff values Tanushree Tunstall 2020-04-11 18:52:57 +01:00
• 398eccd246 added script to format results Tanushree Tunstall 2020-04-10 19:32:47 +01:00
• 9eb7747065 added script to format results Tanushree Tunstall 2020-04-10 19:32:47 +01:00
• f5241048b4 saving work for today Tanushree Tunstall 2020-04-09 16:40:45 +01:00
• 95147b577c saving work for today Tanushree Tunstall 2020-04-09 16:40:45 +01:00
• 0550cfe0e2 adding separae script for getting results for mcsm Tanushree Tunstall 2020-04-09 15:42:56 +01:00
• e4df1c5095 adding separae script for getting results for mcsm Tanushree Tunstall 2020-04-09 15:42:56 +01:00
• 7cee9b21e2 refactoring bash into python to run mcsm Tanushree Tunstall 2020-04-08 18:27:51 +01:00
• 41f118223c refactoring bash into python to run mcsm Tanushree Tunstall 2020-04-08 18:27:51 +01:00
• 7a8bbc6595 minor tweaks Tanushree Tunstall 2020-04-08 18:27:09 +01:00
• f42b6f725f minor tweaks Tanushree Tunstall 2020-04-08 18:27:09 +01:00
• fe3d431a3d combine df script with command line args and added method Tanushree Tunstall 2020-04-08 12:44:17 +01:00
• e1e0313fe8 combine df script with command line args and added method Tanushree Tunstall 2020-04-08 12:44:17 +01:00
• c025a22343 correcting indendation Tanushree Tunstall 2020-04-08 12:43:37 +01:00
• 6f545413bc correcting indendation Tanushree Tunstall 2020-04-08 12:43:37 +01:00
• 30aa64fd2b refactoring: added command line args to combine_dfs Tanushree Tunstall 2020-04-08 11:44:53 +01:00
• 2ca5aea897 refactoring: added command line args to combine_dfs Tanushree Tunstall 2020-04-08 11:44:53 +01:00
• 49a38dd1ae saving work for today Tanushree Tunstall 2020-04-07 17:57:34 +01:00
• 60ac125d2b saving work for today Tanushree Tunstall 2020-04-07 17:57:34 +01:00
• 569b7c6c7f adapted rd_df script to make it take command line args and define function Tanushree Tunstall 2020-04-07 17:42:59 +01:00
• bead9a48bd adapted rd_df script to make it take command line args and define function Tanushree Tunstall 2020-04-07 17:42:59 +01:00
• 811027e34d tidy kd_df script Tanushree Tunstall 2020-04-07 17:42:06 +01:00
• 73ae22e8a2 tidy kd_df script Tanushree Tunstall 2020-04-07 17:42:06 +01:00
• 02488ea23e adapted kd calc script with command line args and made it into a function Tanushree Tunstall 2020-04-07 16:45:59 +01:00
• ae541ca16a adapted kd calc script with command line args and made it into a function Tanushree Tunstall 2020-04-07 16:45:59 +01:00
• 6afe202931 kd script with command line args and as function Tanushree Tunstall 2020-04-07 16:39:50 +01:00
• ded7307c22 kd script with command line args and as function Tanushree Tunstall 2020-04-07 16:39:50 +01:00
• 44577b4a0c updating kd script to take command line args Tanushree Tunstall 2020-04-07 16:13:54 +01:00
• 129808d4a5 updating kd script to take command line args Tanushree Tunstall 2020-04-07 16:13:54 +01:00
• 24c7ade7c4 renamed file for consistency Tanushree Tunstall 2020-04-07 16:04:01 +01:00
• bf0568345e renamed file for consistency Tanushree Tunstall 2020-04-07 16:04:01 +01:00
• f690c75ca0 modified dssp_df to handle multiple chains Tanushree Tunstall 2020-04-07 16:02:19 +01:00
• 91068f5bd1 modified dssp_df to handle multiple chains Tanushree Tunstall 2020-04-07 16:02:19 +01:00
• d161fcd0f3 added dssp.py that runs, processes and outputs csv Tanushree Tunstall 2020-04-07 15:08:18 +01:00
• 3a1431d8ed added dssp.py that runs, processes and outputs csv Tanushree Tunstall 2020-04-07 15:08:18 +01:00
• b0e56328ef adding settings params Tanushree Tunstall 2020-04-06 19:04:35 +01:00
• 08da425e7e adding settings params Tanushree Tunstall 2020-04-06 19:04:35 +01:00
• cc9cdbcad5 refactoring code to make it take command line args Tanushree Tunstall 2020-04-06 19:03:41 +01:00
• 3905a81c38 refactoring code to make it take command line args Tanushree Tunstall 2020-04-06 19:03:41 +01:00
• b5aa524914 logoplot from df and seqs with custom height Tanushree Tunstall 2020-03-29 17:11:17 +01:00
• 0191ee3493 logoplot from df and seqs with custom height Tanushree Tunstall 2020-03-29 17:11:17 +01:00
• 34a2057d29 added R header file to base dir to allow general access by R scripts Tanushree Tunstall 2020-03-28 17:56:39 +00:00
• 4f50786c6f added R header file to base dir to allow general access by R scripts Tanushree Tunstall 2020-03-28 17:56:39 +00:00
• b1e4dcd376 tidied combining plot scripts Tanushree Tunstall 2020-03-28 17:54:45 +00:00
• 745dd343fd tidied combining plot scripts Tanushree Tunstall 2020-03-28 17:54:45 +00:00
• e7f2a3aada added mutate.py script for msa generation Tanushree Tunstall 2020-03-27 17:11:16 +00:00
• 4569e704c1 added mutate.py script for msa generation Tanushree Tunstall 2020-03-27 17:11:16 +00:00
• ab541aa3de saving work for the day Tanushree Tunstall 2020-03-27 17:08:33 +00:00
• c2a4e1b0ec saving work for the day Tanushree Tunstall 2020-03-27 17:08:33 +00:00
• d1da203df0 changed filename to the new combined output (mcsm+struct params) Tanushree Tunstall 2020-03-27 12:43:48 +00:00
• aad225b3d4 changed filename to the new combined output (mcsm+struct params) Tanushree Tunstall 2020-03-27 12:43:48 +00:00
• 82e96fcdba combining mcsm and struct params Tanushree Tunstall 2020-03-27 12:39:02 +00:00
• e598f7d5dd combining mcsm and struct params Tanushree Tunstall 2020-03-27 12:39:02 +00:00
• afd6ca8881 tidy code and saving work for the day Tanushree Tunstall 2020-03-26 17:58:39 +00:00
• 0eaff73114 tidy code and saving work for the day Tanushree Tunstall 2020-03-26 17:58:39 +00:00
• 69e2567ffc added script to combined dfs of structural params like kd, dssp & rd Tanushree Tunstall 2020-03-26 17:14:20 +00:00
• f0becbe386 added script to combined dfs of structural params like kd, dssp & rd Tanushree Tunstall 2020-03-26 17:14:20 +00:00
• c0bac6fd7b changed outcols in dssp and kd outputs Tanushree Tunstall 2020-03-26 17:12:59 +00:00
• 51a9d814c2 changed outcols in dssp and kd outputs Tanushree Tunstall 2020-03-26 17:12:59 +00:00
• 5bab99c15f added residue depth processing to generate df Tanushree Tunstall 2020-03-26 15:44:20 +00:00
• dd2e2d03eb added residue depth processing to generate df Tanushree Tunstall 2020-03-26 15:44:20 +00:00
• 0b7a938fbd tidy code and renamed kd.py to kd_df.py Tanushree Tunstall 2020-03-26 15:43:13 +00:00
• a074d29f6e tidy code and renamed kd.py to kd_df.py Tanushree Tunstall 2020-03-26 15:43:13 +00:00