Difference between revisions of "Matgen toolkit"
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The program is a tool to remove solvents from MOF. | The program is a tool to remove solvents from MOF. | ||
| − | === Usagen === | + | ==== Usagen ==== |
| − | + | <pre> | |
| + | usage: ./bin/rm_mof_solvents --cif_in=string [options] ... | ||
| + | options: | ||
| + | -i, --cif_in input MOF cif file (string) | ||
| + | -o, --output_path output filepath (string [=]) | ||
| + | -f, --force remove solvent molecules anyway | ||
| + | -?, --help print this message | ||
| + | </pre> | ||
=== Find Space Groups === | === Find Space Groups === | ||
=== In-Cell === | === In-Cell === | ||
Revision as of 13:10, 14 February 2020
Contents
Descriptions
Remove Solvents
Description
The program is a tool to remove solvents from MOF.
Usagen
usage: ./bin/rm_mof_solvents --cif_in=string [options] ... options: -i, --cif_in input MOF cif file (string) -o, --output_path output filepath (string [=]) -f, --force remove solvent molecules anyway -?, --help print this message
