Module reactiq_input

Functions and classes for defining the input to a Reactiq workflow.

Classes

ReactiqInput
A class to completely specify a Reactiq calculation.

Functions

list of Structures or strings.

_read_mae_files(fhlist, fileonly)
Process a list of mae files and return extant file paths or associated Structure instances if requested.

Variables

__package__ = 'schrodinger.application.jaguar'

Function Details

Process a list of mae files and return extant file paths or associated Structure instances if requested.

Parameters:

Returns: list of Structures or strings.

Structures or file paths.