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[EMAIL PROTECTED] wrote on 06/13/2006 11:54:45 AM: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hi, > > I am looking desperately for a program that can generate proper > chemical element symbols (column 77-78) for nucleotides etc. (i.e. > those with funny atom names like AC2*). MOST WANTED: A program like > pdbset or pdbcur which reads a pdb and writes the processed pdb and > in addition "knows" all monomers in the monomer library. > > Thanks a lot for your help, > Dirk > -- > > Doesn't Refmac's output have the elements in cols 77-78? You could run a mock refinement with 0 cycles of rigid body minimization or some such... Actually, you might try this script: http://www.ccp4.ac.uk/dist/html/refmac5/usage/examples.html#exam3 If you set NCYC to zero, you shouldn't get any shifts in atomic positions or B factors, but you ought to get the output formatted as you want it. - 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.
