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Description
Dear All,
I'm using PDBfixer to repair my receptor , add missing residues and atoms, and add hydrogens to pH 7.4.
When I use the ouput from PDBFixer I get the following problem.
command:
prepare_receptor4.py -r 5cfj_pdbfixer_wH.pdb -o 5cfj_pdbfixer_wH.pdbqt -A hydrogens
´´´
érror:
```bash
swig/python detected a memory leak of type 'BHtree *', no destructor found.
adding gasteiger charges to peptide
Sorry, there are no Gasteiger parameters available for atom 5cfj_pdbfixer_wH:A:PRO21:O
Sorry, there are no Gasteiger parameters available for atom 5cfj_pdbfixer_wH:A:VAL22:O
Sorry, there are no Gasteiger parameters available for atom 5cfj_pdbfixer_wH:A:ASP26:O
Sorry, there are no Gasteiger parameters available for atom 5cfj_pdbfixer_wH:A:LYS149:O
Warning: hydrogens, ['HZ3', 'HH', 'HG1', 'HG1', 'HA', 'HA', 'HG', 'HH', 'HG1', 'HG', 'HG1', 'HG1', 'HG1', 'HH', 'HH', 'HG1', 'HH', 'HG1', 'HG1', 'HH', 'HH', 'HG', 'HG1', 'HH', 'HG', 'HG', 'HG1', 'HH', 'HG', 'H'] , with no bonds!
´´´Reactions are currently unavailable
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