Running PDB_delocc.py Python Script on Windows 10

HADDOCK
1

The HADDOCK category is meant to discuss any HADDOCK-related issue. For general information about HADDOCK refer to http://www.bonvinlab.org/software/haddock2.2

2

Hi, it seems like you forgot to state the problem… The title kind of says it.
Is this about multiple side-chain occurances in crystal structures?

If yes, then you can use our pdb_delocc.py script from our PBD tools repo available from

3

Hi,

I don’t know much about computers. How exactly do I run this script? Should I place the PDB file in the same file as the script and then run the script using python?

Thanks,
Mikhail

4

5

Hi there,

You should use the script in the command line (Powershell?), with the PDB file as an argument:

python pdb_delocc.py 1abc.pdb > 1abc_new.pdb

Cheers,

João

6

Thanks

Alexandre Bonvin and Joao Rodrigues

It worked.