Scientific Supercomputing at the NIH

Molscript

Description

MolScript is a program for displaying molecular 3D structures, such as proteins, in both schematic and detailed representations. It was developed by Per Kraulis. Molscript website.

Molscript is intended to be used on the Helix platform of the Helix Systems. It was built without jpeg, gif, or png support, so it has limited use for direct production of images. It is best used to create input files for RASTER3D, which can produce images in several different formats.

Version

2.1.2

How to Use

Sample session (user input in bold):

<helix>% molauto sugars.pdb > sugars.in <helix>% molscript < sugars.in > sugars.ps ----- MolScript v2.1.2, Copyright (C) 1997-1998 Per J. Kraulis ----- ref: P.J. Kraulis, J. Appl. Cryst. (1991) vol 24, pp 946-950 ----- http://www.avatar.se/molscript/ reading PDB file... 25 residues and 340 atoms read into molecule mol 340 atoms selected for position 340 atoms selected for transform rotation matrix applied: 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 1.00000000 translation vector applied: -33.9773 -76.7728 -50.2570 11 atoms selected for bonds [...] setting window to 75.57 setting slab to 64.44 530 lines, 0 points, 0 spheres, 0 planes, 0 sticks and 0 labels. ----- MolScript v2.1.2, Copyright (C) 1997-1998 Per J. Kraulis ----- ref: P.J. Kraulis, J. Appl. Cryst. (1991) vol 24, pp 946-950 ----- http://www.avatar.se/molscript/ <helix>% gs sugars.ps

1ze0 image

Documentation

Molscript documentation at the Molscript website.

How to create a Raster3d Input file from Molscript