MolAlign
NO WARRANTY DISCLAIMER Author(s) J. O'Donnell (O'Donnell Associated) Description MolAlign is a program which reads a molfile of related structures, along with a SMARTS substructure definition and produces a molfile in which each structure is rotated so that the common substructures are aligned with each other. Documentation TJ's MUG'01 talk Requirement(s) toolkits: smarts smiles Download(s) molalign.tar.gz Revision History Contributed March 2001 | |