Peter Schmidtke f792bff126 fixing MSE and Se issues

2024-04-08 09:42:28 +00:00

..

reference_output

fixing MSE and Se issues

2024-04-08 09:42:28 +00:00

environment.yml

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

test_fpocket.py

issue-113 changing reference files & reparing test

2023-11-21 17:56:23 +01:00

test_mmcif.py

fixing mmcif writing for db mode

2024-01-25 08:01:29 +01:00