Missing RBT_PARAMETER_FILE_V1.00 string in prm file
Hi. Maybe someone has occured the same problem. I am gonna to run docking with RxDock (installed via bioconda), but there is a problem.
RxDock is maintained by Vedran Miletić, Patrik Nikolić, and Luka Vretenar.
Visit https://www.rxdock.org/ for more information.
Executable: rbdock/0.1.0
Library: librxdock.so/0.1.0
RBT_ROOT: /mnt/raid/mwisniewski/conda/abyss/share/rxdock-2013.1.1_148c5bd1-1
RBT_HOME: /mnt/raid/mwisniewski/PhD/data
Current dir: /mnt/raid/mwisniewski/PhD/script
Date: Wed Dec 6 10:28:36 2023
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Command line args:
-i /mnt/raid/mwisniewski/PhD/data/bdb2020plus/ligand/sdf/6TRX_ligand.sdf
-r /mnt/raid/mwisniewski/PhD/data/bdb2020plus/docs/temp/6TRX-6TRX.prm
-p dock.prm
-o /mnt/raid/mwisniewski/PhD/data/bdb2020plus/docs/6TRX-6TRX
-n 100
Reading polar hydrogens only from ligand SD file
DOCKING PROTOCOL:
/mnt/raid/mwisniewski/conda/abyss/share/rxdock-2013.1.1_148c5bd1-1/data/scripts/dock.prm
Free docking (indexed VDW)
RECEPTOR:
/mnt/raid/mwisniewski/PhD/data/bdb2020plus/docs/temp/6TRX-6TRX.prm
RBT_FILE_PARSE_ERROR at ../src/lib/RbtParameterFileSource.cxx, line 162
Missing RBT_PARAMETER_FILE_V1.00 string in /mnt/raid/mwisniewski/PhD/data/bdb2020plus/docs/temp/6TRX-6TRX.prm
Have you ever had this kind of problem? prm, mol2 and sdf files are attached.
Maciek
Edited by Maciej Wiśniewski