doubledeepms_structure_metrics: doubledeepms_structure_metrics

In lehner-lab/doubledeepms: Analysis scripts to reproduce the figures and results from doubleDeepPCA manuscript

doubledeepms_structure_metrics

Description

Add 3D structure metrics.

Usage

doubledeepms_structure_metrics(input_file, outpath, pdb_file,
  pdb_chain_query = "A", pdb_chain_target = "B", execute = TRUE)

Arguments

input_file	path to MoCHI thermo model fit results (required)
outpath	output path for plots and saved objects (required)
pdb_file	path to PDB file (required)
pdb_chain_query	query chain id (default:A)
pdb_chain_target	target chain id (default:B)
execute	whether or not to execute the analysis (default: TRUE)

Value

Nothing

lehner-lab/doubledeepms documentation built on July 21, 2023, 4:10 a.m.