[AMBER] Error in pdb4amber for AmberTools21

From: Bhattacharjee, Sinjini <bhattacharjee.kofo.mpg.de>
Date: Wed, 9 Jun 2021 13:26:09 +0000

Hello, I have been trying to clean up a pdb file after adding hydrogens from the H++ server. But this error pops up. I tried with an example from the metal-ion modelling tutorial and the same thing happens. Can you tell me if this is a bug and how to resolve this?

Traceback (most recent call last):
  File "/Users/bhattacharjee/miniconda3/envs/AmberTools21/bin/pdb4amber", line 33, in <module>
    sys.exit(load_entry_point('pdb4amber==20.1', 'console_scripts', 'pdb4amber')())
  File "/Users/bhattacharjee/miniconda3/envs/AmberTools21/lib/python3.9/site-packages/pdb4amber/pdb4amber.py", line 816, in main
  File "/Users/bhattacharjee/miniconda3/envs/AmberTools21/lib/python3.9/site-packages/pdb4amber/pdb4amber.py", line 520, in run
  File "/Users/bhattacharjee/miniconda3/envs/AmberTools21/lib/python3.9/site-packages/pdb4amber/pdb4amber.py", line 388, in _write_renum
    fh.write("%3s %c %5s %3s %5s\n" %
TypeError: %c requires int or char

I also attach a sample pdb file herewith.

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Received on Wed Jun 09 2021 - 06:30:03 PDT
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