AMS Conformer Generator Tools for MoleculesΒΆ

Note

This is an alpha release of the AMSConformers toolkit. It is mostly feature complete, but some APIs might still change in the future. Of course it might also contain some bugs. If you are interested in trying AMSConformers, feel free to get in touch with us at support@scm.com. We are happy to get you started and appreciate all kinds of feedback on AMSConformers.

Tip

AMSConformers can also be used via the command line:

$AMSBIN/amsconformers my_molecule.xyz

Note: not all features from the python library can be used via the amsconformers command line tool. Type $AMSBIN/amsconformers -h for more info.