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a7d7bceb00
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adding options to specify files by user
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2020-11-27 13:02:15 +00:00 |
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8dc2fa7326
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fixed white space prob with mcsm input with merge
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2020-07-14 14:07:23 +01:00 |
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5a2084ba11
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remove white space in colnames before mcsm format output
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2020-07-14 12:59:40 +01:00 |
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08379c0def
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minor tidy up in foldx, mcsm and dssp scripts
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2020-07-09 14:04:16 +01:00 |
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44597ec563
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renamed mcsm_wrapper to run_mcsm
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2020-07-09 13:33:56 +01:00 |
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6725f08829
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adding default dirs and filenames to argparse in foldx and mcsm
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2020-07-09 12:57:08 +01:00 |
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6961a9cdb3
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minor edits to format mcsm data like sorting df
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2020-07-09 11:15:56 +01:00 |
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8931441fa5
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ran foldx and mcsm (get) for 33k dataset
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2020-07-08 20:30:32 +01:00 |
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973a1a33da
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refactor foldx pipeline to include:
* command-line args
* creating necessary dirs automagically
* code cleanup, syntax errors, etc etc
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2020-06-30 17:14:30 +01:00 |
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b28d0afded
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various debug, doc, and args
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2020-05-25 14:27:25 +01:00 |
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1d84846789
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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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8b1a7fc71c
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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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368496733a
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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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bc03aab82d
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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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23c2ddf45f
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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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8b7ccccc49
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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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fb7588cedf
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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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9eb7747065
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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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95147b577c
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saving work for today
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2020-04-09 16:40:45 +01:00 |
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e4df1c5095
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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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41f118223c
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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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