Exemplos de MDfilehandling.makeVmdData em Python

Exemplo n.º 1

Arquivo: MDmanager (Andres-MacBook-Air's conflicted copy 2015-09-15).py Projeto: AndreDouzette/MolecularDynamics

	def makeVmdData(this, simulation = -1):
		print "Making vmd input files";
		path = this.simulations[simulation];
		length = this.stateNumbers[simulation];
		mdf.makeVmdData(path, length);
		mdf.combine(path, length);

Exemplo n.º 2

Arquivo: MDmanager.py Projeto: AndreDouzette/MolecularDynamics

	def makeVmdData(this, simulation = -1, processors = "all"):
		path = this.simulations[simulation];
		length = this.stateNumbers[simulation];
		mdf.makeVmdData(path, length);
		mdf.combine(path, length, processors = processors);