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[EMAIL PROTECTED] wrote on 12/13/2005 04:27:58 PM: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > > Hi, > I would like to model an ethylene glycol molecule (as a solvent) in the > structure I am refining. Is this molecule in the library of the CCP4? I > would like to know the 2 or 3 letter code of this molecule if there is > any. (as in PO4 for phosphate, ACT for acetate etc.) In general, where > should I look for the library of existing solvent molecules? > Thank you in advance, > Madhavi > Hi Madhavi - Ethylene glycol is 'EDO' (short for 1,2-ethanediol) in the refmac library and the PDB. You can find a complete list here: http://www.ccp4.ac.uk/dist/html/lib_list.html This file is also in your CCP4 distribution directory: $CCP4_HOME/lib/data/monomers/ - I think the file is called mon_lib. - Matt -- Matthew Franklin phone:(917)606-4116 Senior Scientist, ImClone Systems fax:(212)645-2054 180 Varick Street, 6th floor New York, NY 10014 Confidentiality Note: This e-mail, and any attachment to it, contains privileged and confidential information intended only for the use of the individual(s) or entity named on the e-mail. If the reader of this e-mail is not the intended recipient, or the employee or agent responsible for delivering it to the intended recipient, you are hereby notified that reading it is strictly prohibited. If you have received this e-mail in error, please immediately return it to the sender and delete it from your system. Thank you.
