[AMBER] OT: GLYLIB C libraries for molecular data

From: Lachele Foley (Lists) <"Lachele>
Date: Wed, 28 Apr 2010 19:02:42 -0400

For anyone who might find this sort of thing interesting or useful:

GLYLIB is a set of libraries designed to facilitate highly creative
programming involving molecular data. The libraries are written in
plain C, mostly ANSI or POSIX compliant. Currently, the molecular data
that are most supported come from computational chemistry,
biochemistry, biophysics etc., and are particularly data associated
with molecular mechanics or dynamics.

URL: http://glycam.org/glylib

GLYLIB is not intended to replace currently available programs or
scripting environments (e.g., ptraj, NAB, sander, MMTK, VMD). It is
also not intended to replace efficient mathematics libraries and such.

It is intended for use in circumstances such as these:

* Trying out new or unusual computational methods.

* Playing around with theories in a "quick and dirty" sort of way.

* Changing pdb/prmtop/coodinate/etc. files in ways that cannot be
easily done with existing programs.

The advantages are:

* Relatively easy to use or alter, with a gentle learning curve. Even
if you don't know a lot of C, you can do things.

* Is just a library in C: you can do anything C can do.

* It's written in plain C so it should run most anywhere without any
other special software. (There are a very few gnu bits we still need
to move.)

* The license is generous.

GLYLIB is not:

* Optimized for speed or efficiency: the point is simplicity.

* Complete, extensive or perfect: it is constantly evolving.

If you have questions, comments, etc., write me off list to this
address or at one of the addresses given on the site.

:-) Lachele
Lachele Foley
Athens, GA USA
AMBER mailing list
Received on Wed Apr 28 2010 - 16:30:03 PDT
Custom Search