mirror of
https://github.com/rdk/p2rank.git
synced 2026-06-04 12:44:24 +08:00
19 lines
412 B
Plaintext
19 lines
412 B
Plaintext
# dataset for rescoring
|
|
|
|
PARAM.METHOD=concavity
|
|
|
|
# uncomment if ligands are separated with TER record:
|
|
PARAM.LIGANDS_SEPARATED_BY_TER=true
|
|
|
|
# pocket-prediction-output-pdb
|
|
|
|
|
|
concavity/1a82a.pdb/1a82a_concavity_pocket.pdb
|
|
concavity/1aaxa.pdb/1aaxa_concavity_pocket.pdb
|
|
concavity/1nlua.pdb/1nlua_concavity_pocket.pdb
|
|
concavity/1t7qa.pdb/1t7qa_concavity_pocket.pdb
|
|
concavity/2ck3b.pdb/2ck3b_concavity_pocket.pdb
|
|
|
|
|
|
|