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compas (version 0.1.1)

Conformational Manipulations of Protein Atomic Structures

Description

Manipulate and analyze 3-D structural geometry of Protein Data Bank (PDB) files.

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Version

Install

install.packages('compas')

Monthly Downloads

181

Version

0.1.1

License

GPL-3

Maintainer

Samuel Wong

Last Published

January 9th, 2022

Functions in compas (0.1.1)

torsion

Calculate dihedral angle formed by four atoms
atomdeps

Atom parameters and definitions for side chains
atomtype

Atom Type Table
pdbrmsd

Root Mean Squared Deviation (RMSD) of Two Protein Conformations
pred879

Sample Protein Conformation 2
dfireE

DFIRE Energy Evaluation for Protein Conformations
nat879

Sample Protein Conformation 1
calCo

Calculate Cartesian coordinates for 1-4 bonded atoms
calscco

Calculate Cartesian coordinates of side chains