doubledeepms__plot_sturcture_examples_residues: doubledeepms__plot_sturcture_examples_residues

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

doubledeepms__plot_sturcture_examples_residues

Description

generate pymol script to get figures of pdb structures highlighting example residues

Usage

doubledeepms__plot_sturcture_examples_residues(pdb_id, pdb_view,
  domain_pos, ligand_pos, domain_backbone_color, ligand_backbone_color,
  domain_residues_color, ligand_residues_color, zoom_center = 25,
  output_file)

Arguments

pdb_id	name of the pdb structure (required)
pdb_view	vector of the pdb sturcture orientation (required)
domain_pos	vector of domain positions to highlight in the heatmap and 3D structure (required)
ligand_pos	vector of domain positions to highlight in the 3D structure (required)
domain_backbone_color	color of the domain backbone in the 3D structure
ligand_backbone_color	color of the ligand backbone in the 3D structure
domain_residues_color	color of the domain residues in the 3D structure
ligand_residues_color	color of the ligand residues in the 3D structure
zoom_center	points to zoom in (negative) or out (positive) the pdb structure in points (Default: 25)
output_file	output file path

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