Commit graph

41 commits

Author SHA1 Message Date
c80c87235e further tidy for OR calcs 2020-06-23 12:19:26 +01:00
e3ae1c3a95 tody scracth script for various OR calcs 2020-06-23 11:57:51 +01:00
263527f576 all OR calcs using sapply and output as df 2020-06-22 18:17:06 +01:00
6b5ced65e5 extracting other params from logistic 2020-06-22 14:11:16 +01:00
28e52d4194 script to combine ors and afs 2020-06-22 13:07:26 +01:00
c98ca7c8ae script to combine all ors 2020-06-19 14:43:23 +01:00
07258120de renamed files & added or kinship link file 2020-06-19 10:33:26 +01:00
c36197d75e updated Af and OR calcs script with argeparse and minor tidyup 2020-06-18 18:37:55 +01:00
f9a8ed3dc7 getopt and commandArgs examples, and AF/OR update to use getopt() 2020-06-18 17:59:28 +01:00
864f814e1b removed merging df for AF_OR 2020-06-18 16:10:02 +01:00
3d1536f2b6 af and or calcs, not merging 2020-06-18 15:57:25 +01:00
c4f9e24007 foramtting and adding or 2020-06-18 13:55:45 +01:00
b73c506587 added AF_and OR calcs script and making it generic 2020-06-17 19:36:34 +01:00
2cebd338ba ran struc param analysis 2020-06-17 19:36:02 +01:00
96da4d8ed5 inlcuded the revised master file for 35k isolates 2020-06-16 11:39:11 +01:00
b28d0afded various debug, doc, and args 2020-05-25 14:27:25 +01:00
3a0ff9b35e added scratch/ 2020-05-22 12:03:11 +01:00
73762568e8 building script for inspecting pdb 2020-05-22 11:57:59 +01:00
bdad2dcfda fixing hetatm script 2020-05-21 12:54:10 +01:00
bc368be4b7 added script for pairwise alignment 2020-05-15 17:58:14 +01:00
cf3e507475 tidy up code 2020-05-15 13:48:50 +01:00
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