levy@snoopy.Colorado.EDU (12/13/90)
Would anyone know of a program that would produce 3-D graphics images of molecules that are defined by x,y,z coordinates in the Brookhaven Protein Data Base format. This program should be able to run on a UNIX system but operation on either a Mac or an IBM-PC (in that order of preference) would be other alternatives. This program, if it exists, would allow some limited manipulation of the molecule in real time but this is not a necessity. The important point is to allow visualization of molecules in either a wireframe and/or "ball and stick" format. Color coding and other such enhancements are not that important. Accurate representation of the data set in pseudo or in actual stereo image mode are important considerations. Thanks in advance. Sam Levy University of Colorado, Boulder Internet: levy@snoopy.colorado.edu
sundinKC@dna.lth.se (Anders Sundin) (12/13/90)
levy@snoopy.Colorado.EDU (Sam Levy) writes: > Would anyone know of a program that would produce > 3-D graphics images of molecules that are defined by x,y,z > coordinates in the Brookhaven Protein Data Base format. > The important point is to allow visualization of molecules in either > a wireframe and/or "ball and stick" format. Color coding and > other such enhancements are not that important. > Accurate representation of the data set in pseudo or in actual > stereo image mode are important considerations. I am the author of MacMimic, a program for the visualization, construction and comparison molecular structures. A Macintosh II family computer is needed to run MacMimic. A colour monitor with 256 colours is also required. A fully functional demo of MacMimic, except for the saving or printing of structures, is available via anonymous ftp from pollux.lu.se 130.235.132.89 in the directory pub/mac/demo I will soon upload a new demo version where the speed of parsing a PDB file is improved by a factor of 10. The demo is also available from info-mac at sumex-aim.stanford.edu. MacMimic can display and handle structures with up to 32000 atoms as wireframe or ball and stick models. Models can be displayed in stereo. Colour is used to indicate atom type, but individual atoms or whole structures can be painted in other colours. The 3-D impression of models is improved by a configurable depth cueing. Printing in black and white or in colour is supported. Structures can be input from the MolLib library of structures, or obtained from a database as a PDB file (Brookhaven Protein Database file) or as an XR file (Cambridge Crystallographic Database file). Structures can also be imported and exported to the Macintosh applications Ball&Stick and Chem3D. MacMimic has a powerful structure editor which can create new or modify existing models. MacMimic is distributed by: InStar Software AB IDEON Research Park S-22370 Lund Sweden Fax: (46) 46-128022 -- Anders Sundin e-mail: sundinKC@dna.lth.se Organic Chemistry 2, ok2aps@seldc52.bitnet P.O. Box 124 phone: +46 46 108214 S-22100 Lund, Sweden fax: +46 46 108209
gilbertd@silver.ucs.indiana.edu (Don Gilbert) (12/13/90)
Molecular modelling programs for Macintosh available via anonymous ftp to Iubio.bio.indiana.edu, cd [archive.chemistry.mac]: BALLNSTICK-DEMO.SIT (use MacBinary file transfer) MAC-MOLECULE.HQX (use ascii file transfer and un'Binhex) MACMIMIC-DEMO.HQX ( " ) -- Don Don.Gilbert@Iubio.Bio.Indiana.Edu biocomputing office, indiana univ., bloomington, in 47405, usa