From michal.jewginski from pwr.wroc.pl  Mon May 14 11:17:48 2007
From: michal.jewginski from pwr.wroc.pl (michal.jewginski@pwr.wroc.pl)
Date: Mon May 14 13:06:49 2007
Subject: [X-plor] problem with a pNA topology for XPLOR
Message-ID: <1179159468.723481.213910@w5g2000hsg.googlegroups.com>

To Xplor experts:

could You help me create topology file (also all necesary parameter)
for p-nitroanilide as a preresidue?
I can create "frame" from heavy atoms (C, N,O) but I can't surmount
with adding hydrogen to phenyl ring. Program are halted with a error
message:

 %HBUILD-ERR: error building hydrogen for donor:
"pNa 2   GLY C21 "
 Some bond angles are missing in the topology
 and parameter file that involve this donor atom.
 %<HBUILD>-ERR: Unknown angles involving donor atom.

Atom C21 is a C delta atom of the phenyl ring of p-nitroanilide, this
same is for other carbon (which are connected to hydrogen) in the
phenyl ring.

It's a little bit strange, because I used atom type typical for phenyl
ring.

If You have any suggestion, here is my e-mails:
michal.jewginski@uni.opole.pl; jewgin@interia.pl

Any help will be great appreciated.

Best regards

Michal Jewginski
--------------------------------
Institute of Chemistry
University of Opole

From chenmengen from yahoo.com.cn  Wed May 16 16:32:34 2007
From: chenmengen from yahoo.com.cn (chenmengen)
Date: Thu May 17 13:15:58 2007
Subject: [X-plor] NOC 3.0 is released
Message-ID: <200705162132.l4GLWdE17220@net.bio.net>

New version NOC-3.0 is released for Windows/Linux/Mac OSX/FreeBSD/Solaris with source code.
Downloading is available at http://noch.sourceforge.net
NOC is:
  a easy and fast protein explorer for structure visulization, analysis; 
  a powerful tool for crystallographic mapping, modeling and refinement;
  a efficient viwer for GROMACS/AMBER MD trajectories;




From tou-yukimatsu from aist.go.jp  Thu May 31 06:43:57 2007
From: tou-yukimatsu from aist.go.jp (DONG XUESONG)
Date: Thu May 31 08:56:06 2007
Subject: [X-plor] CNS generate.inp problem
Message-ID: <20070531114357.11587.qmail@web2712.mail.kcd.yahoo.co.jp>

Dear all
   
  when I do CNS generate.inp, the script adds phosphate atoms to adenosine(in my structure) automaticlly in output generate.pdb.
  what is the problem of generate.inp or pdb file?
   
  Thank you.
   
  carlblue
   
   
 

 
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