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I am having trouble generating a target file using agfr from ADFR suite 1.0. I am using default parameters.
identifying pockets using AutoSite ....
Traceback (most recent call last):
File "/home/ihoskins/autodock/CCSBpckgs/ADFR/bin/runAGFR.py", line 59, in <module>
runner(**kw)
File "/home/ihoskins/autodock/CCSBpckgs/ADFR/utils/runAGFR.py", line 944, in __call__
self.clustersorted, clPropsorted, dcl = self.afterAutoSite(gc, verbose=True)
File "/home/ihoskins/autodock/CCSBpckgs/ADFR/utils/runAGFR.py", line 476, in afterAutoSite
dcl.findClustersD(gc._indices, cVolcut=cutoff)
File "/home/ihoskins/autodock/CCSBpckgs/AutoSite/utils/clusterTPoints.py", line 150, in findClustersD
index = indices.values()[0]
IndexError: list index out of range
I am able to run successfully run using the test data in the package; however it is failing with my own receptor/ligand pair. I generated pdbqt files using prepare_ligand and prepare_receptor after adding H atoms using reduce.
I would rather not upload the files here unless absolutely necessary for troubleshooting.
The text was updated successfully, but these errors were encountered:
I am having trouble generating a target file using agfr from ADFR suite 1.0. I am using default parameters.
I am able to run successfully run using the test data in the package; however it is failing with my own receptor/ligand pair. I generated pdbqt files using prepare_ligand and prepare_receptor after adding H atoms using reduce.
I would rather not upload the files here unless absolutely necessary for troubleshooting.
The text was updated successfully, but these errors were encountered: