Hello Yujie-- > > I'm refining a protein structure with PRE data of MTSL labels. There are > something wrong with my "newRefine.py" script. Followed is a part of ERROR > report. >
The problem is with this snippet from your script:
>
> bbPre = PotList('bbPre')
> for p in (cysp114['Cysp114hn']):
> bbPre.append(p)
> pass
> crossTerms.append(bbPre)
It's a Python thing. The for loop with a single term can be written
for p in (cysp114['Cysp114hn'],):
or
for p in [cysp114['Cysp114hn']]:
I have changed the eginput/pre example to now use square brackets for
the next release, so that future others won't have this problem when
using only a single set of PREs.
best regards--
Charles
-- Charles Schwieters email: [email protected] www: http://schwieters.org/cds phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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