MOL3D-A modular and interactive program for molecular modeling and conformational analysis: II. Extended modules

D. Pattou, L. H. Bach, J. P. Kocher, B. Maigret

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The new release of MOL3D, a molecular modeling program written in FORTRAN, contains not only enhanced graphic capabilities, but also an improved module for intermolecular calculations that allows rigid and flexible docking. Various interfaces have been added to some well-known and widely diffused programs, such as MM2, AMBER and MOPAC, and to the Cambridge Crystallographic Database. Finally a graph manager and a samples database have been added, which allow efficient searches with various requirements concerning structural templates, pharmacophoric three-dimensional (3D) constraints, and the field of biological activity, if any.

Original languageEnglish (US)
Pages (from-to)241-246
Number of pages6
JournalJournal of Molecular Graphics
Volume10
Issue number4
DOIs
StatePublished - Dec 1992

Keywords

  • AMBER
  • Cambridge Crystallographic Database
  • MM2
  • MOPAC
  • docking
  • molecular modeling
  • structure-activity relationships

ASJC Scopus subject areas

  • Biophysics
  • Biochemistry

Fingerprint Dive into the research topics of 'MOL3D-A modular and interactive program for molecular modeling and conformational analysis: II. Extended modules'. Together they form a unique fingerprint.

Cite this