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molecular graphics softwares

Wayne R. Baker baker at iastate.edu
Wed Feb 1 12:44:35 EST 1995

In bionet.xtallography, 
Isabelle Reginster <Isabelle.Reginster at fundp.ac.be> wrote
:I'm searching for molecular graphics softwares,
:mostly for PC, but also for Mac, SGI and unix machines.
:Send your answers to regin at biq.fundp.ac.be
:I'll send a summary on this list.

This was posted a while back. My apologies to the author for omitting
their name.

[ Begin included text: ]

In article <36se4cINN1ccd at sat.ipp-garching.mpg.de>, krasel at alf.biochem.mpg.de (Cornelius Krasel) writes:
> In article <macklon-0310941136450001 at pc22.mid.ucalgary.ca>, macklon at acs.ucalgary.ca (PMacklon) writes:

>> We are interested in share/freeware programs to be able to view protein
>> structures (such as transferrin) on either a PC or Mac platform. 
> Rasmol is exactly what you're looking for. Unfortunately it is not yet
> available for Macs. (I am even not sure if there is _any_ PDB viewer
> available for Macs...)

   Didier Vanderveken has compiled a list of 53 molecular graphics
programs, of which 16 run on the Macintosh!  The ones that say they
directly accept PDB input are all commercial, but some of the free
programs don't say what format they take.  To get the list:

  ftp infomeister.osc.edu
  Name: anonymous
  Password: Your_E-mail_Address
  ftp> cd pub/chemistry/documents
  ftp> get molecular_graphics_packages
  ftp> quit

To those who don't have ftp access, I'm willing to e-mail the file.

> Alternatively you could try Kinemage, available for both Macs and 
> Windows, but you would have to convert PDB files first

   Kinemage is not on the list yet.  Send in a description!

misrael at scripps.edu			Mark Israel

This file contains some overviews, standard descriptions, etc.

ACS-COMP-NEWS - was supposed to be a place for the news from American
                Chemical Society COMP Division.

C-vs-FORTRAN  - cons and pros of using C/FORTRAN for computational chemistry
                codes. Discussion on Comp.Chem.List.

DFT           - some notes on Density Functional Theory software.

PDB           - Format of Protein Data Bank structure file and lists
                of available structures in the Protein Data Bank.

basis-sets    - overview of basis sets used in ab initio quantum calculations.

comp-chem-courseware - an overview of Computational Chemistry Course at
                University of Minnesota.

drug.design.guide - short overview of methods in Computer-Aided Drug Design

high-performance-fortran - description of HPF standard

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