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Verachem Environmental Software
3 software items found
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VFilter analyzes multiple conformations of a molecule and removes conformations that are identical to within user-specified tolerances. Both global and local chemical symmetries are accounted for when comparing a pair of conformations. For example, if two conformations differ only by a 180º rotation of a benzene ring, the local symmetry of the benzene is detected and applied so that the two ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
VDisplay is a freely available 3D molecular viewer which reads the SDfiles produced by VCharge and VConf provides an easy, graphical way to view the results on a Windows computer. VDisplay can also read and display SDfiles produced by other programs. VDisplay allows the user to step through molecules in the SDfile one by one, or jump to a specific molecule via a simple name search. A range of ...
by:VeraChem, LLC based inGermantown, MARYLAND (USA)
Superimpose related ligand series on reference structure Reference can be co-xtal PDB, sdf, mol, crd Handles arbitrary atom orderings. Provides excellent VM2/docking starting structures. VMap is an application to superimpose related ligands (e.g. common scaffold atoms; different R-groups) on a reference molecule. The reference can be, for example, a co-crystalized ligand taken from a protein PDB ...