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ca36e004c1
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fixing hetatm script
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2020-05-21 12:54:10 +01:00 |
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15dea0cbf6
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added script for pairwise alignment
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2020-05-15 17:58:14 +01:00 |
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548d9a5192
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tidy up code
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2020-05-15 13:48:50 +01:00 |
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f7e371a585
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script for saving pdb chains in single file
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2020-05-15 13:44:57 +01:00 |
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01a7cbf26e
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renamed extract chain file
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2020-05-15 10:59:19 +01:00 |
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65db4a090e
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added pdb_chain splitter code and wrapper
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2020-05-13 16:54:20 +01:00 |
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3425d8fa2b
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added pdbtools from github source and modified seq.py to exclude hetatm seq extraction
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2020-05-12 14:08:08 +01:00 |
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7f66d5d19e
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adding commands for use of pdbtools
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2020-05-12 12:50:49 +01:00 |
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b28d866237
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handle not ready (refresh) url
Please enter the commit message for your changes. Lines starting
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2020-04-21 17:12:18 +01:00 |
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a405aa17c3
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moved scripts to /ind_scripts & added add col to formatting script
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2020-04-20 12:52:10 +01:00 |
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e94da61871
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fixed indentation error and ran mcsm_wrapper dcs
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2020-04-17 12:19:08 +01:00 |
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e50466da39
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add wrapper and mcsm library
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2020-04-16 17:45:24 +01:00 |
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7aafa72e10
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defined method for formatting mcsm_results
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2020-04-14 11:30:36 +01:00 |
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45889990e7
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saving work for the day
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2020-04-11 19:00:39 +01:00 |
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7d2241ad81
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added lambda func to normalise duet and aff values
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2020-04-11 18:52:57 +01:00 |
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398eccd246
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added script to format results
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2020-04-10 19:32:47 +01:00 |
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f5241048b4
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saving work for today
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2020-04-09 16:40:45 +01:00 |
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0550cfe0e2
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adding separae script for getting results for mcsm
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2020-04-09 15:42:56 +01:00 |
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7cee9b21e2
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refactoring bash into python to run mcsm
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2020-04-08 18:27:51 +01:00 |
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7a8bbc6595
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minor tweaks
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2020-04-08 18:27:09 +01:00 |
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fe3d431a3d
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combine df script with command line args and added method
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2020-04-08 12:44:17 +01:00 |
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c025a22343
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correcting indendation
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2020-04-08 12:43:37 +01:00 |
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30aa64fd2b
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refactoring: added command line args to combine_dfs
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2020-04-08 11:44:53 +01:00 |
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49a38dd1ae
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saving work for today
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2020-04-07 17:57:34 +01:00 |
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569b7c6c7f
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adapted rd_df script to make it take command line args and define function
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2020-04-07 17:42:59 +01:00 |
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811027e34d
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tidy kd_df script
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2020-04-07 17:42:06 +01:00 |
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02488ea23e
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adapted kd calc script with command line args and made it into a function
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2020-04-07 16:45:59 +01:00 |
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6afe202931
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kd script with command line args and as function
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2020-04-07 16:39:50 +01:00 |
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44577b4a0c
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updating kd script to take command line args
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2020-04-07 16:13:54 +01:00 |
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24c7ade7c4
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renamed file for consistency
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2020-04-07 16:04:01 +01:00 |
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f690c75ca0
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modified dssp_df to handle multiple chains
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2020-04-07 16:02:19 +01:00 |
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d161fcd0f3
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added dssp.py that runs, processes and outputs csv
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2020-04-07 15:08:18 +01:00 |
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b0e56328ef
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adding settings params
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2020-04-06 19:04:35 +01:00 |
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cc9cdbcad5
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refactoring code to make it take command line args
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2020-04-06 19:03:41 +01:00 |
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b5aa524914
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logoplot from df and seqs with custom height
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2020-03-29 17:11:17 +01:00 |
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34a2057d29
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added R header file to base dir to allow general access by R scripts
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2020-03-28 17:56:39 +00:00 |
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b1e4dcd376
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tidied combining plot scripts
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2020-03-28 17:54:45 +00:00 |
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e7f2a3aada
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added mutate.py script for msa generation
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2020-03-27 17:11:16 +00:00 |
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ab541aa3de
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saving work for the day
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2020-03-27 17:08:33 +00:00 |
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d1da203df0
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changed filename to the new combined output (mcsm+struct params)
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2020-03-27 12:43:48 +00:00 |
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82e96fcdba
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combining mcsm and struct params
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2020-03-27 12:39:02 +00:00 |
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afd6ca8881
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tidy code and saving work for the day
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2020-03-26 17:58:39 +00:00 |
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69e2567ffc
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added script to combined dfs of structural params like kd, dssp & rd
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2020-03-26 17:14:20 +00:00 |
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c0bac6fd7b
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changed outcols in dssp and kd outputs
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2020-03-26 17:12:59 +00:00 |
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5bab99c15f
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added residue depth processing to generate df
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2020-03-26 15:44:20 +00:00 |
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0b7a938fbd
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tidy code and renamed kd.py to kd_df.py
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2020-03-26 15:43:13 +00:00 |
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4c2fa2b600
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tidied and updated kd and dssp scripts & generated their respective outputs
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2020-03-25 18:19:23 +00:00 |
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87a847109a
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updated kd.py to relfect a merging col for combining num params later
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2020-03-25 15:20:54 +00:00 |
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de1822f491
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output from comb script & electrostatic mut changes calculated
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2020-03-25 13:42:18 +00:00 |
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96ebb85069
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updated combining df scripts for duet & lig
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2020-03-24 18:28:52 +00:00 |
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