ProtoCaller

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Thank for your ProtoCaller. When I run python T4-lysozyme.py, there appears the following wrongs. Your reply would be very appreciated. WARNING:openff.toolkit.utils.toolkit_registry:Warning: Unable to load toolkit 'OpenEye Toolkit'. The Open Force...

chaoyangma24

Installing protocaller under conda on ubuntu 20.04, there appears the following error. How to resolve it. Your reply wound be very appreciated. UnsatisfiableError: The following specifications were found to be...

chaoyangma24

There are some cases of issue https://github.com/protocaller/ProtoCaller/issues/18 . ``` 6UJ4 5PZU 2I0E 2QJR 6V6Z 4G3E ``` I got this error more and more frequent recently, there might be some API...

kexul

tleap failed for protein

2

Hi, here is code to reproduce: ``` protein = Protein('6VTN', ligand_ref='1001') protein.filter(ligands=None, waters='chain', simple_anions=None, complex_anions=None, chains=['A']) protein.prepare() protein.parametrise() ```` Error: ``` OSError: Error while calling command 'tleap' ``` tleap.log ```...

kexul