Commit graph

20 commits

Author SHA1 Message Date
f28b287c86 script for saving pdb chains in single file 2020-05-15 13:44:57 +01:00
bc2844dffb renamed extract chain file 2020-05-15 10:59:19 +01:00
ea213d09aa added pdb_chain splitter code and wrapper 2020-05-13 16:54:20 +01:00
6b527baaff added pdbtools from github source and modified seq.py to exclude hetatm seq extraction 2020-05-12 14:08:08 +01:00
5ac87e76c7 adding commands for use of pdbtools 2020-05-12 12:50:49 +01:00
bc03aab82d add wrapper and mcsm library 2020-04-16 17:45:24 +01:00
95147b577c saving work for today 2020-04-09 16:40:45 +01:00
f42b6f725f minor tweaks 2020-04-08 18:27:09 +01:00
e1e0313fe8 combine df script with command line args and added method 2020-04-08 12:44:17 +01:00
6f545413bc correcting indendation 2020-04-08 12:43:37 +01:00
60ac125d2b saving work for today 2020-04-07 17:57:34 +01:00
bead9a48bd adapted rd_df script to make it take command line args and define function 2020-04-07 17:42:59 +01:00
73ae22e8a2 tidy kd_df script 2020-04-07 17:42:06 +01:00
ae541ca16a adapted kd calc script with command line args and made it into a function 2020-04-07 16:45:59 +01:00
129808d4a5 updating kd script to take command line args 2020-04-07 16:13:54 +01:00
bf0568345e renamed file for consistency 2020-04-07 16:04:01 +01:00
91068f5bd1 modified dssp_df to handle multiple chains 2020-04-07 16:02:19 +01:00
3a1431d8ed added dssp.py that runs, processes and outputs csv 2020-04-07 15:08:18 +01:00
08da425e7e adding settings params 2020-04-06 19:04:35 +01:00
3905a81c38 refactoring code to make it take command line args 2020-04-06 19:03:41 +01:00