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Old 06-02-2004, 12:03 AM   #1
mamta_k
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Registered: May 2004
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open source s/w for plotting molecules (like chemdraw)


hai !
i want to find an quivalent open souece s/w to chemdraw. I am in search of the best. I am asking for help becouse i don't know much about chemistry (s/w is for my chem. students)
I am looking for a s/w that can plot molecular structures in 3d and also reflet the features
 
Old 06-02-2004, 02:41 AM   #2
lou IbmiX XI
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Hello,

take a look at this address:

http://www.linuxsoft.cz/en/sw_list.php?id_kategory=133
 
Old 06-02-2004, 04:07 AM   #3
mamta_k
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thanks!
I have downloaded th tarball. let met try it.
 
Old 06-02-2004, 04:16 AM   #4
mamta_k
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hello!
Any information on Rasmol?
 
Old 06-02-2004, 08:13 AM   #5
Frank_Drebin
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Here is the opensource version of chemdraw for Linux. It's called Xdrawchem and is supposed to be pretty close to chemdraw.

http://xdrawchem.sourceforge.net/

------------------------------------------------>>>
 
Old 06-03-2004, 05:30 AM   #6
mamta_k
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Registered: May 2004
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i have down loaded the the rpm but failed to install. The error is
error: xdrawchem-1.7.7-1RH9.i386.rpm: MD5 digest: BAD Expected(5576a99eed53cb9ca7f1b1a560688ff8) != (d3b95a2bd2f9d8250aba58bf368198ab)
error: xdrawchem-1.7.7-1RH9.i386.rpm cannot be installed

what is it?
 
Old 06-03-2004, 08:53 AM   #7
Frank_Drebin
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That means that you probably got a bad download. The md5 check sum doesn't appear to match. I would delete it and download a new copy.

Are you familiar with md5 checksum?
 
Old 06-03-2004, 11:25 PM   #8
mamta_k
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I don't know any thing about md5 checksum.
I had already downloaded a new copy (from the same mirror site) but same message appeared. So i downloaded the source code package tarball . Again there occured another problem.
I have already installed the open babel's required version. but when i run the command
the following error appeared.
$./configure --without-openbabel
...........................
Package openbabel was not found in the pkg-config search path.
Perhaps you should add the directory containing `openbabel.pc'
to the PKG_CONFIG_PATH environment variable
..................................

how can i modify PKG_CONFIG_PATH

eagerly waiting for the reply
 
Old 06-04-2004, 01:38 AM   #9
mamta_k
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hello!
i have added the .pc file to /usr/lib/pkg-config.
and the problem is solved.
 
Old 06-04-2004, 10:03 AM   #10
Frank_Drebin
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Awesome! sorry, I missed the post last night. How's the program? Does it work for your needs?
 
Old 06-07-2004, 01:06 AM   #11
mamta_k
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yes!! it works
Thank u very much
 
  


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