MORCAD, AN OBJECT-ORIENTED MOLECULAR MODELING PACKAGE RUNNING ON IBM RS/6000 AND SGI 4DXXX WORKSTATIONS

被引:35
作者
LEBRET, M [1 ]
GABARROARPA, J [1 ]
GILBERT, JC [1 ]
LEMARECHAL, C [1 ]
机构
[1] INST NATL RECH INFORMAT & AUTOMAT,F-78153 LE CHESNAY,FRANCE
关键词
MOLECULAR GRAPHICS; MOLECULAR MODELING; NUCLEIC ACID STRUCTURE PARAMETERS; OBJECT ORIENTED LANGUAGES; QUASI NEWTONIAN MINIMIZERS;
D O I
10.1051/jcp/1991882489
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
A package for molecular modeling (display, analysis, building, minimization) through user defined parametrization is presented.
引用
收藏
页码:2489 / 2496
页数:8
相关论文
共 7 条
[1]   MOLECULAR MECHANICS AND DYNAMICS OF AN ABASIC FRAMESHIFT IN DNA AND COMPARISON TO NMR DATA [J].
COGNET, JAH ;
GABARROARPA, J ;
CUNIASSE, P ;
FAZAKERLEY, GV ;
LEBRET, M .
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 1990, 7 (05) :1095-1115
[2]   ABASIC FRAMESHIFT IN DNA - SOLUTION CONFORMATION DETERMINED BY PROTON NMR AND MOLECULAR MECHANICS CALCULATIONS [J].
CUNIASSE, P ;
SOWERS, LC ;
ERITJA, R ;
KAPLAN, B ;
GOODMAN, MF ;
COGNET, JAH ;
LEBRET, M ;
GUSCHLBAUER, W ;
FAZAKERLEY, GV .
BIOCHEMISTRY, 1989, 28 (05) :2018-2026
[3]   AN ABASIC SITE IN DNA - SOLUTION CONFORMATION DETERMINED BY PROTON NMR AND MOLECULAR MECHANICS CALCULATIONS [J].
CUNIASSE, P ;
SOWERS, LC ;
ERITJA, R ;
KAPLAN, B ;
GOODMAN, MF ;
COGNET, JAH ;
LEBRET, M ;
GUSCHLBAUER, W ;
FAZAKERLEY, GV .
NUCLEIC ACIDS RESEARCH, 1987, 15 (19) :8003-8022
[4]  
Dickerson RE, 1989, EMBO J, V8, P1
[5]   THE GTM6AC SEQUENCE IS OVERWOUND AND BENT [J].
FAZAKERLEY, GV ;
GABARROARPA, J ;
LEBRET, M ;
GUY, A ;
GUSCHLBAUER, W .
NUCLEIC ACIDS RESEARCH, 1989, 17 (07) :2541-2556
[6]   SOME NUMERICAL EXPERIMENTS WITH VARIABLE-STORAGE QUASI-NEWTON ALGORITHMS [J].
GILBERT, JC ;
LEMARECHAL, C .
MATHEMATICAL PROGRAMMING, 1989, 45 (03) :407-435
[7]  
NOCEDAL J, 1980, MATH COMPUT, V35, P773, DOI 10.1090/S0025-5718-1980-0572855-7