Chem3D and PDB files

CamSci camsci at aol.com
Fri Nov 10 11:02:35 EST 1995


>I have just installed Chem3D for Windows, and find that it has
>trouble reading files of non-protein molecules in PDB format.
>Furthermore, it can write PDB files from molecules I create in
>Chem3D, and then fail to read back those same PDB files. Chem3D
>issues an erroor message about "missing residue data".

Kenneth,

It is probably best to contact our technical support department at 
support at camsoft.com. However, here are some things to try:

When you choose the PDB file format from the Open file dialog, there
should be an Options button. Click on the Options button and uncheck the 
expect residue information checkbox. This should allow you to bypass the
missing residue data message.


Some data: Chem3D does not write residue information when saving as a PDB
file.
We hope to change this in the near future, but for the time being Chem3D
does not
have a way of knowing that a specific atom is part of a specific residue.
However,
while reading the file in, Chem3D can make use of the residue information
- if it is
there.

Hope this information helps, and please contact us directly if you are
still having problems.

Joel A. Wolff, Ph.D.
Customer Service Manager
CambridgeSoft Corporation
875 Massachusetts Avenue
Cambridge, MA 02139
Fax: (617) 491-7203
Compuserve: 76070,615
Internet: support at camsoft.com
http://www.camsoft.com




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