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238 commits

Author SHA1 Message Date
ed739aeb71 sourcing plotting_data for subcols_axis_PS 2020-08-26 12:07:04 +01:00
b754f26f9b added ligand df in plotting 2020-08-26 10:02:44 +01:00
73877942f4 added instructions on running plot scripts 2020-08-24 14:38:45 +01:00
75273cebbf generated replaced Bfactor pdbs 2020-08-24 14:37:28 +01:00
54f9fd073b rectified mcsm_mean_stability to avereage on raw values and then scale 2020-08-24 13:04:25 +01:00
d76345c3de saving work to check merge conflicts resolved 2020-08-24 11:20:58 +01:00
f468554427 sourced plotting script in mean_stability calcs 2020-08-21 17:33:09 +01:00
a448d9276b added plotting scripts from old run 2020-08-21 13:25:01 +01:00
d78626048c script to format snp_info.txt 2020-08-21 13:23:29 +01:00
acd0b8355b updated script to combine dfs 2020-08-21 13:22:28 +01:00
841d18d10b sorted df by position for output in data_extraction 2020-08-14 17:57:12 +01:00
48773a19ef tidy script for linking or_kinship with missense variant info 2020-08-14 16:41:11 +01:00
f8f33abad8 removed if clause for filenames 2020-08-13 18:39:16 +01:00
2d8cb01cb7 added output file for checking 2020-08-11 18:34:02 +01:00
dcd9a985ec saving work, ready for more remote working 2020-08-07 13:35:02 +01:00
13203e6fe0 added data cjeckings script 2020-08-07 13:34:24 +01:00
61e41f1697 saving work 2020-08-07 13:33:44 +01:00
efe0178f4e separting data processing from plotting, started with basic_barplots_PS script 2020-07-16 18:59:17 +01:00
7d1ecbb660 replaced single quotes with double in R scripts 2020-07-16 14:18:18 +01:00
5e1b39cea0 mean stability values calcs and replaceBfactor plots 2020-07-16 14:12:08 +01:00
1f44f8ec0a calculating mean stabilty per position
please enter the commit message for your changes. Lines starting
2020-07-16 10:37:40 +01:00
1e785a08a1 scripts generating axis coloured subcols bp for PS 2020-07-15 16:31:10 +01:00
3cb33df009 made tweaks to output plot filenames 2020-07-15 16:29:36 +01:00
55f03bc343 adding plots as I tidy and generate 2020-07-15 13:50:07 +01:00
e41fb78e37 saved work before adding plots 2020-07-15 13:36:20 +01:00
e4270b67c8 saving work for today 2020-07-14 16:13:17 +01:00
2bc5be20b9 resolving merge conflicts dur to shoddy data 2020-07-14 14:09:42 +01:00
7d36e0e36b fixed white space prob with mcsm input with merge 2020-07-14 14:07:23 +01:00
46b1505fdf remove white space in colnames before mcsm format output 2020-07-14 12:59:40 +01:00
83383b4493 finding discrepancy in merging or dfs,grrrr 2020-07-13 18:31:29 +01:00
9e8469abe3 trying to resolve copy warning in code 2020-07-13 12:20:43 +01:00
57a966c7c4 added sanity checks for or_kinship calcs 2020-07-13 11:37:43 +01:00
f9500d5324 added sanity checks for or_kin 2020-07-10 15:24:57 +01:00
5677175423 refactoring or_kin script minor changes only 2020-07-10 12:38:42 +01:00
c80faef0bf refactoring or_kin script minor changes only 2020-07-10 12:37:41 +01:00
aaf3f5e084 added cleaned up af_or_calcs.R 2020-07-09 15:55:16 +01:00
d3d82623d2 added consistent style scripts to format kd & rd values 2020-07-09 14:08:27 +01:00
e4a7deae7b minor tidy up in foldx, mcsm and dssp scripts 2020-07-09 14:04:16 +01:00
0379d3e241 renamed mcsm_wrapper to run_mcsm 2020-07-09 13:33:56 +01:00
91348aaae2 added dssp.py with refactored argeparse 2020-07-09 12:58:55 +01:00
f8e345f5bc adding default dirs and filenames to argparse in foldx and mcsm 2020-07-09 12:57:08 +01:00
6402990154 minor edits to format mcsm data like sorting df 2020-07-09 11:15:56 +01:00
01fbc2a87b ran foldx and mcsm (get) for 33k dataset 2020-07-08 20:30:32 +01:00
0e71b23759 modified extraction to be explicit for extracting nsSNP for specified gene 2020-07-08 18:47:22 +01:00
1fa0dc6ad4 minor changes in data extraction 2020-07-08 16:01:54 +01:00
c958cc1081 data extraction tidy up 2020-07-08 13:26:33 +01:00
a4670b9944 saving work for the day 2020-07-07 18:31:14 +01:00
a7f21cfb14 adding clean files for rerrun 35k dataset 2020-07-07 18:28:55 +01:00
943513a338 added script to combine all files in one 2020-07-07 16:06:11 +01:00
5addb85851 renamed files that combine dfs 2020-07-07 15:46:13 +01:00