TY - JOUR
T1 - MOL3D-A modular and interactive program for molecular modeling and conformational analysis
T2 - II. Extended modules
AU - Pattou, D.
AU - Bach, L. H.
AU - Kocher, J. P.
AU - Maigret, B.
PY - 1992/12
Y1 - 1992/12
N2 - 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.
AB - 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.
KW - AMBER
KW - Cambridge Crystallographic Database
KW - MM2
KW - MOPAC
KW - docking
KW - molecular modeling
KW - structure-activity relationships
UR - http://www.scopus.com/inward/record.url?scp=0027064429&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0027064429&partnerID=8YFLogxK
U2 - 10.1016/0263-7855(92)80076-P
DO - 10.1016/0263-7855(92)80076-P
M3 - Article
C2 - 1476998
AN - SCOPUS:0027064429
SN - 0263-7855
VL - 10
SP - 241
EP - 246
JO - Journal of Molecular Graphics
JF - Journal of Molecular Graphics
IS - 4
ER -