From chemistry-request@server.ccl.net  Sat May  6 00:51:38 2000
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From: manoj@chem.iitkgp.ernet.in
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Date: Sat, 6 May 2000 04:46:54 +0000 (   )
To: CHEMISTRY@ccl.net
Subject: C/C++ Source code
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Hello 
     I want to find the torsion angles of protein residues in 
a protein as a part of a larger program on manipulating pdb files.
Can anybody tell me where I can find a freely available C/C++ source code
for finding the phi, psi ,omega angles from files in pdb format.
     Thanks in advance.
                                    
                                        manoj
                                	
  	
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   |  Manoj Pal                     |                                 |
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   |  IIT Kharagpur                 |                                 |
   |  INDIA                         |                                 |
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   |                  (   )    0ooo.|      manoj@chem.iitkgp.ernet.in |
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From chemistry-request@server.ccl.net  Sat May  6 09:32:44 2000
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Date: Sat, 6 May 2000 19:25:57 +0530 (IST)
From: QUANTA <quanta@chem.unipune.ernet.in>
To: CHEMISTRY@server.ccl.net
cc: vbarge@hotmail.com
Subject: Semiempirical method for NaCl
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 I would like to know if there is any Semi-empirical method which can be
used to study a NaCl cluster.

Regards.
Vishal Barge.


From chemistry-request@server.ccl.net  Sat May  6 09:37:33 2000
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Date: Sat, 6 May 2000 19:31:00 +0530 (IST)
From: QUANTA <quanta@chem.unipune.ernet.in>
To: CHEMISTRY@server.ccl.net
cc: vbarge@hotmail.com
Subject: Partial optimization.
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 Can we partially optimize a molecular geometry using purely Cartesian
Coordinates in the GAUSSIAN package?

Regards.
Vishal Barge.