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cee10cc540
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ran mcsm format for embb
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2021-11-13 09:43:56 +00:00 |
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ddae107314
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saving work in LSHTM_analysis before combining data for targets
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2021-11-09 12:44:11 +00:00 |
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e302aafacf
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uncommented some debug output for mcsm, pandas and numpy conflict. So temporarily resolved it by running from base env
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2021-02-11 10:53:23 +00:00 |
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21451789e7
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renamed files
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2021-02-10 11:53:20 +00:00 |
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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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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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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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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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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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