*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
Hi, Jian,
Is everything correct? such as the hexacyclic ring
geometry and conformation.
I think overlapping is not the point.
On Mon, 5 Dec 2005 14:52:40 +0800 (CST)
"Jian Wu" <[EMAIL PROTECTED]> wrote:
*** For details on how to be removed from this list
visit the *** *** CCP4 home page
http://www.ccp4.ac.uk *** Hello everyone:Now I
am refining a set of low-resolution data which contains
my enzyme, an acyl-CoA and a drug and all is OK for the
protein and the acyl-CoA. But the modest density
indicates that the drug maybe exist with dual
conformtions and the pocket nearby accomodate enough
space for the drug to convert from one conformation into
another.Using the "alternate.inp" in CNS, I generate the
coordinate file and structure file and then adjust the
two conformers to the 'correct places'. However, the two
conformers locate near to each other and have an
overlapping hexacyclic ring. So when I want to refine it
in CNS, it tell me that the two conformers have conflicts
on the hexacyclic rings and automatically 'push' them out
from the density.?: (I am wondering if you guys have the
similar experience. Any suggestion and comments are
welcome!Thanks in advance!-- Jian Wu Ph.D. Student
Institute of Biochemistry and Cell Biology Shanghai
Institutes for Biological Sciences Chinese Academy of
Sciences (CAS) Tel: 0086-21-54921117 Email:
[EMAIL PROTECTED]
This e-mail message may contain information that is
confidential and/or privileged. If you are not the intended
recipient, any use, disclosure, copying, or communication
of the contents of this message is prohibited. If this
message was received in error, please delete the message
and any attachments from your computer. Thank you.
