MOL3D--a modular and interactive program for molecular modeling and conformational analysis: II. Extended modules.
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.
Pattou
D
D
Laboratoire de Résonance Magnétique et de Modélisation Moléculaire Université L. Pasteur, Strasbourg, France.
Bach
L H
LH
Kocher
J P
JP
Maigret
B
B
D003196:Computer Graphics; D003461:Crystallography; D016208:Databases, Factual; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D012984:Software; D012985:Software Design; D013816:Thermodynamics