molinfo-vienna / apo2ph4 Goto Github PK
View Code? Open in Web Editor NEWA versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
License: GNU General Public License v3.0
A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
License: GNU General Public License v3.0
I'm sorry to bother you again, but when I enter the knime command in apo2ph4_prepare_and_dock.sh, I get the following error,
WARN main Node Errors loading flow variables into node : Invalid path: /
WARN main Node The LigandScout Knime Node Extensions are not licensed!
WARN main Node The LigandScout Knime Node Extensions are not licensed!
for ligandscout license, I refer to other people's solutions,but that doesn't help:
Please locate your KNIME installation folder. This folder should contain a file named knime.ini. In this file you can define startup parameters.
Add the following line to this file:
-Dcom.knime.licensedir=</path/to/directory/containing/serial/file>
The </path/to/directory/containing/serial/file> should be a path to a folder on your system that contains a file named serial. This serial file should contain your serial number and nothing else.
I tried to use a python script to calculate the potential pharmacophore characteristics of ligand,
But there is an error reported.
error1.txt
Boost.Python.ArgumentError: Python argument types in
DefaultPharmacophoreGenerator.init(DefaultPharmacophoreGenerator, bool)
did not match C++ signature:
I don't know how to solve this problem, I hope to get help
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