Hello,
In the same spirit as an earlier email. I'm trying to load MMPBSA.py
results with the MMPBA API.
My scripts, in the spirit of the Amber documentation (section 31.4),
starts with:
import os
import sys
sys.path.append(os.path.join(os.getenv('AMBERHOME'), 'bin'))
from MMPBSA_mods import API as MMPBSA_API
results = MMPBSA_API.load_mmpbsa_info('_MMPBSA_info')
In AmberTools13, no problem:
>>> results = MMPBSA_API.load_mmpbsa_info('_MMPBSA_info')
Loading and checking parameter files for compatibility...
In AmberTools15:
>>> results = MMPBSA_API.load_mmpbsa_info('_MMPBSA_info')
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File
"/opt/amber15-gnu/lib/python2.6/site-packages/MMPBSA_mods/API.py", line
358, in load_mmpbsa_info
app.parse_output_files()
File
"/opt/amber15-gnu/lib/python2.6/site-packages/MMPBSA_mods/main.py", line
928, in parse_output_files
self.using_chamber)}
AttributeError: 'MMPBSA_App' object has no attribute 'using_chamber'
I have checked the source code and could not see any definition of
using_chamber in the python parts.
Any idea?
Thanks,
Gerald.
--
____________________________________________________________________________
Prof. Gerald MONARD
SRSMC, Université de Lorraine, CNRS
Boulevard des Aiguillettes B.P. 70239
F-54506 Vandoeuvre-les-Nancy, FRANCE
e-mail : Gerald.Monard.univ-lorraine.fr
tel. : +33 (0)383.684.381
fax : +33 (0)383.684.371
web : http://www.monard.info
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Received on Tue Jun 23 2015 - 07:00:03 PDT
