Authors
Jason Swails, Carlos Hernandez, David L Mobley, Hai Nguyen, Lee-Ping Wang, Pawel Janowski
Publication date
2010
Journal
URL: https://github. com/ParmEd/ParmEd
Description
MSKCC, April 10, 2015 Jason Swails Page 1 ParmEd MSKCC, April 10, 2015 Jason Swails Page
2 ParmEd: What is it? Standalone programs bash$ parmed.py /^^^/ /] / ] / ] _______/ ]___ / ] /
\_____/ / _/ [@] \ \ \ /.. | | ] VVVvvv\ | | _/\ ] PARMED | / \ ] AAA^^^^^ / \] \_________\ \_____/ \ \ \____\
ParmEd: a Parameter file Editor Reading input from STDIN... > help Documented commands
(type help <topic>): ======================================== EOF changeRadii
minimize quit HMassRepartition checkValidity netCharge scale OpenMM defineSolvent
outCIF scee add12_6_4 deleteBond outPDB scnb addAtomicNumber deleteDihedral outparm
setAngle [snip] > API Easily instantiate and manipulate full MM descriptions of chemical
systems. Support wide range of force fields. OpenMM integration. Robust format parsers.
Page 3 ParmEd: API Design Structure base class CIFFile PDBx/ mmCIF PDBFile PDB File …
Scholar articles
J Swails, C Hernandez, DL Mobley, H Nguyen… - URL: https://github. com/ParmEd/ParmEd, 2010