Hi Dr. Schwieters: Yes I'm using version 2.18 of Xplor-NIH. I'm not a unix or python expert by any means though. I can tell you that I've been using a python script annealdim.py (which works fine for the non-acetylated .seq file) and I get the error after "calling" xplor in this fashion:
xplor -py annealdim.py > out.txt Without prepending ACE in the relevant .seq file the above command produces 100 structures in a specified directory without any problems. Tyler Quoting Charles at Schwieters.org: > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hello Tyler-- > >> >> I've been trying to process a peptide with an N-terminal >> acetylation, however, >> simply "prepending" the .seq file with an ACE "residue" (as suggested in the >> initial response below) produces an error. Is there something more to this >> "prepending" process than just sticking ACE in the .seq file? >> > > Are you running version 2.18 of Xplor-NIH? I just tested seq2psf, and it > worked ok for me... > > best regards-- > Charles > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.6 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> > > iD8DBQFHYKLxPK2zrJwS/lYRAp6lAJ9H5tD9ycIWCcI7SUWlNdnXlI+AwQCfcpeb > TsXuJIqKPr0DuslM3t9KE+M= > =N0wE > -----END PGP SIGNATURE----- >
