pschmidtke 4f4893164f issue-107 accepting long chain & ligand names, exit code handling & ref test output. Fixes on molfile plugin for cif reading

2024-01-11 11:38:03 +01:00

..

aa.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

asa.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

atom.h

longer chain names

2020-07-17 01:18:55 -07:00

calc.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

check.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

cluster.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

clusterlib.h

initial fpocket 3.0.4 commit

2017-03-22 23:31:13 +01:00

descriptors.h

working now?

2021-02-02 21:07:36 +01:00

dparams.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

dpmain.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

dpocket.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

energy.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

fparams.h

issue-107 accepting long chain & ligand names, exit code handling & ref test output. Fixes on molfile plugin for cif reading

2024-01-11 11:38:03 +01:00

fpmain.h

added file format detection in main

2020-07-15 06:36:21 -07:00

fpocket.h

dev-13 adding back run_qvoronoi and run_qconvex

2018-07-23 22:51:22 +02:00

fpout.h

merge desmond and master mess

2018-06-03 01:39:38 +02:00

grid.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

mdparams.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

mdpbase.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

mdpmain.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

mdpmem.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

mdpocket.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

mdpout.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

memhandler.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

neighbor.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

pertable.h

pdbxpluging update

2021-11-15 21:46:24 +01:00

pocket.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

pscoring.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

psorting.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

read_mmcif.h

mmcif_reading works but outputs fatal error

2020-07-13 07:58:46 -07:00

refine.h

issue-107 accepting long chain & ligand names, exit code handling & ref test output. Fixes on molfile plugin for cif reading

2024-01-11 11:38:03 +01:00

rpdb.h

issue-107 accepting long chain & ligand names, exit code handling & ref test output. Fixes on molfile plugin for cif reading

2024-01-11 11:38:03 +01:00

sort.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

topology.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

tparams.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

tpmain.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

tpocket.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

utils.h

change umlauts to normal O's

2023-06-15 14:55:06 -06:00

voronoi_lst.h

headers : switching from GPL3 to MIT license

2018-06-03 01:04:09 +02:00

voronoi.h

functional in PDB format

2023-02-20 14:16:06 +01:00

write_visu.h

PYMOL and VMD reading special

2020-07-23 02:07:48 -07:00

writepdb.h

writing mmcif fonctionnal and separate pockets

2020-07-22 05:16:21 -07:00

writepocket.h

writepocket.h upadate

2020-07-30 02:15:31 -07:00