GROParser

class GROParser(filename, mode='r', **kwargs)

Bases: Parser

Convert GRO file in Gromos87 format into a dictionary representation [1].

References

[1]

https://manual.gromacs.org/archive/5.0.4/online/gro.html

Methods

GROParser.get(key[, default])	Retrieve a value from the internal data using a given key.
GROParser.items()	List items available in internal dictionary.
GROParser.keys()	List keys available in internal dictionary.
GROParser.parse_input(lines, **kwargs)	Parse a list of lines from a file and convert the data into a dictionary.
GROParser.values()	List values available in internal dictionary.