Charles, The script works fine now, thank you very much! Vitaly
----- Original Message ----- From: [email protected] Date: Tuesday, January 11, 2011 12:00 pm Subject: Re: [Xplor-nih] Custom C-terminal residue To: Vitaly Vostrikov <vvostri at uark.edu> Cc: Charles at Schwieters.org, xplor-nih at nmr.cit.nih.gov > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hello Vitaly-- > > > Thank you for the fast response, the solution you propose suits me > > very well. There is still an issue with a psfGen though: when > seqToPSF> is supplied with ctermPatch='', the error message > results: > > > > Traceback (most recent call last): > > File "stdin", line 1, in <module> > > File "/opt/xplor-nih-2.24/python/psfGen.py", line 553, in seqToPSF > > ''' % (nterm,cterm,splitSeq)) > > UnboundLocalError: local variable 'cterm' referenced before > assignment> > > Sorry to post such an untested solution. The patch below should fix > theproblem (I also updated the web site-posted version). > > best regards-- > Charles > > *** python/psfGen.py 2011-01-11 15:54:24 +0000 > - --- python/psfGen.py 2011-01-11 17:56:37 +0000 > *************** > *** 510,515 **** > - --- 510,517 ---- > pass > if ctermPatch: > cterm = "LAST %s HEAD - * END" > % ctermPatch > + else: > + cterm='' > pass > > if seq[0]=='ACE': > > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.10 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.9 > <http://mailcrypt.sourceforge.net/> > iEYEARECAAYFAk0smqoACgkQPK2zrJwS/lYWCgCdHRdOF8yxiTjUGWtn4l7HcBA5 > 8WgAni0sqE25jr9Ybxf7tbkMXbxKdzlj > =4HXH > -----END PGP SIGNATURE----- >
