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370. NAMOD: A Computer Program for Drawing Perspective
Diagrams of Molecules
by Yoshitaka Beppu, Department of Physics, Faculty of Science, Nagoya University, Nagoya 464, Japan NAMOD (Nagoya University Molecular Structure Display Program) is a subroutine-package composed of 27 sub- programs.It is useful for drawing perspective diagrams of molecules by the medium-sized computer systems with graphic display or XY-plotter. It displays ball-and-stick-type models with hidden lines removed. NAMOD is composed of about 2800 lines of code, including 1000 for drawing perspective diagrams, 200 for performing three types of rotations of molecules, 100 for printing atomic distances and atomic valence- angles, and 1500 for printing the manual of NAMOD. It contains only standard FORTRAN statements in order to fulfill device-independency. Namely, basic graphic subroutines are called in MAIN-program supplied by the user. Adjustable arrays are employed. Memory size, cpu time and input data necessary for NAMOD are about 30% of those for ORTEP (Oak Ridge Thermal Ellipsoid Plot) which is an excellent program for X-ray crystallography. FACOM M-190 (Gibson-mix-time is 0.17 microseconds) requires 21 seconds and 160 Kb (40 kilo- words) for drawing perspective diagram of insulin-dimer composed of 808 atoms. This program is executable on CDC 6600, FACOM M-190 (plus compatible with IBM 370/168), ACOS 77-700 (compatible with HONEYWELL), HITAC 8800, FACOM 230/48, and FACOM 230/75, etc. FORTRAN IV Lines of Code: 2852 Recommended Citation: Y. Beppu, QCPE 11, 370 (1979). |