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The CCP4 way is PDBSET with keyword SEQU SINGLE. Add blank lines and asterisks to taste ... Martyn On Tue, 2006-10-03 at 16:00 -0400, Bottomley, Matthew wrote: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Hello, > > could anyone tell me how to get the single-letter amino acid sequence out of > a PDB file, e.g. in fasta format? > > I would like to do this so that I can compare it with the 'expected' > sequence, since e.g. arp/warp sometimes puts an Ala when there is a Lys with > poor side-chain density.... > > Thanks. > > Matt > > > ------------------------------------------------------------------------------ > Notice: This e-mail message, together with any attachments, contains > information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, > New Jersey, USA 08889), and/or its affiliates (which may be known > outside the United States as Merck Frosst, Merck Sharp & Dohme or MSD > and in Japan, as Banyu - direct contact information for affiliates is > available at http://www.merck.com/contact/contacts.html) that may be > confidential, proprietary copyrighted and/or legally privileged. It is > intended solely for the use of the individual or entity named on this > message. If you are not the intended recipient, and have received this > message in error, please notify us immediately by reply e-mail and then > delete it from your system. > > ------------------------------------------------------------------------------
