mirror of
https://github.com/rdk/p2rank.git
synced 2026-06-04 12:44:24 +08:00
15 lines
465 B
Plaintext
15 lines
465 B
Plaintext
# training/evaluating dataset
|
|
|
|
PARAM.METHOD=fpocket
|
|
|
|
# uncomment if ligands are separated with TER record:
|
|
PARAM.LIGANDS_SEPARATED_BY_TER=true
|
|
|
|
|
|
# pocket-prediction-output-pdb liganated-protein-pdb
|
|
|
|
fpocket/1a82a_out/1a82a_out.pdb liganated/1a82a.pdb
|
|
fpocket/1aaxa_out/1aaxa_out.pdb liganated/1aaxa.pdb
|
|
fpocket/1nlua_out/1nlua_out.pdb liganated/1nlua.pdb
|
|
fpocket/1t7qa_out/1t7qa_out.pdb liganated/1t7qa.pdb
|
|
fpocket/2ck3b_out/2ck3b_out.pdb liganated/2ck3b.pdb |