|
initiateSolvate
|
initiateSolvate (
models,
method,
solvent,
extent,
center,
status,
)
Exceptions
|
|
IOError(mol2io.error() )
RuntimeError( "No molecules in sleap output" )
NonChimeraError( "Failure running sleap \n" "Check reply log for details\n" )
|
|
|
writeLeaprc
|
writeLeaprc (
tempDir,
method,
solvent,
extent,
center,
leaprc,
)
|
|