Sir/Madam,
I am trying to model few peptide sequences using Xplor and exploiting its
distance restraint parameters. But when I did the seq2psf the package
returned me an error message as follows
Traceback (most recent call last):
File "<string>", line 1, in <module>
File "/opt/xplor-nih-2.53/bin/seq2psf", line 168, in <module>
customRename=custom_rename )
File "/opt/xplor-nih-2.53/python/psfGen.py", line 922, in seqToPSF
if seqType=='auto': seqType = deduceSeqType(seq)
File "/opt/xplor-nih-2.53/python/psfGen.py", line 665, in deduceSeqType
initResidueNames()
File "/opt/xplor-nih-2.53/python/psfGen.py", line 633, in initResidueNames
for name in grabResidueNames(protocol.topology[key]):
File "/opt/xplor-nih-2.53/python/psfGen.py", line 597, in grabResidueNames
file = protocol.genTopParFilename(file,suffix="top")
File "/opt/xplor-nih-2.53/python/protocol.py", line 143, in
genTopParFilename
raise Exception(mess)
Exception: genTopParFilename: could not find name nucleic.top as a
structure type
or as file in the current dir, or in TOPPAR
PyInterp::command: error executing:
>execfile('/opt/xplor-nih-2.53/bin/seq2psf')<
I could not find the TOPPAR folder in the package. I am using a macintosh
system and xplor version 2.53.
Himal.
Senior Project Associate
Department of Biophysics
Bose Institute
India.
--
Himal.
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