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I have installed the LigParGen command line program and am getting the following error when trying to parameterise my pdb file:
ligpargen --pdb test.pdb -c -1 -o 3 -r TST
Traceback (most recent call last):
File "/Users/rosiewood/miniconda3/bin/LigParGen", line 8, in <module>
sys.exit(main())
File "/Users/rosiewood/miniconda3/lib/python3.8/site-packages/LigParGen/Converter.py", line 90, in main
convert(**vars(args))
File "/Users/rosiewood/miniconda3/lib/python3.8/site-packages/LigParGen/Converter.py", line 153, in convert
GenMolRep(pdb, optim, resname, charge)
File "/Users/rosiewood/miniconda3/lib/python3.8/site-packages/LigParGen/CreatZmat.py", line 51, in GenMolRep
AsitIsZmat(ifile,optim,resid)
File "/Users/rosiewood/miniconda3/lib/python3.8/site-packages/LigParGen/CreatZmat.py", line 29, in AsitIsZmat
mollines = open(iform[0] + '.mol', 'r').readlines()
FileNotFoundError: [Errno 2] No such file or directory: 'test.mol'
(base) -> [1]
Thanks in advance
The text was updated successfully, but these errors were encountered:
Hello,
I have installed the LigParGen command line program and am getting the following error when trying to parameterise my pdb file:
Thanks in advance
The text was updated successfully, but these errors were encountered: