AMBER Archive (2004)

Subject: Re: AMBER: Babel

From: FyD (fyd_at_u-picardie.fr)
Date: Mon Nov 15 2004 - 17:07:11 CST

> Thank you very much for the suggestion. I found some issues about 'babel'
> from Amber mail-reflectors, and tried the command'babel -ipdb model.pdb
> -omol2 model.mol2'. I got the message saying that 'The environment
> variable BABEL_DIR is not defined. Please define this variable to so
> babel can find element.lis'. Is 'Babel' a part of 'Amber7'? it is seems a
> part of R.E.D. But I can't find where it is in the Amber7 manual.

Babel program:
http://ccl.net/cca/software/UNIX/babel/index.shtml or
http://smog.com/chem/babel, last version: 1.6, this prog. is not developed
anymore

Openbabel program:
http://openbabel.sourceforge.net, which is the official version of Babel under
development
=================
cat .cshrc
setenv BABEL_DIR /usr/local/babel
set path = ($path usr/local/babel)
=================
babel -ipdb molecule.pdb -omol2 molecule.mol2
=================
All this will be available in the R.E.D.-II
http://www.u-picardie.fr/labo/lbpd/RED/ manual.

Regards, Francois

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