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Garib Murshudov <[EMAIL PROTECTED]> wrote on 06/13/2006 02:21:06 PM: > If there are element names on the columns 77-78 then refmac deals > with them otherwise > dictionary should be available and then refmac takes element name > from dictionary. If dictionary is not available > then it is tough. refmac tries to extract element name from atom > names (have you ever tried to do this. code becomes > very very very long if you want to have a general solution that does > not exist) > > Garib > Hi Garib - Since Dirk had asked for a program that could get element names from the monomer library, I figured that Refmac wouldn't have to be guessing based on the atom name. Will setting cycles to zero in an idealization refinement like I suggested produce a pdb file with xyz's and B's unchanged? Thanks, 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.
