Hello all,

I installed propka 3.1 (https://github.com/jensengroup/propka-3.1) and I am unable to run the propka31 command. I get this message :

samuel@samuel-UX305CA:~$ propka31 '/home/samuel/Downloads/2jfz_monom_reFH.pdb'
Traceback (most recent call last):
File "/usr/local/bin/propka31", line 6, in
from pkg_resources import load_entry_point
File "/usr/lib/python2.7/dist-packages/pkg_resources/init.py", line 3088, in
@_call_aside
File "/usr/lib/python2.7/dist-packages/pkg_resources/init.py", line 3072, in _call_aside
f(*args, **kwargs)
File "/usr/lib/python2.7/dist-packages/pkg_resources/init.py", line 3101, in _initialize_master_working_set
working_set = WorkingSet._build_master()
File "/usr/lib/python2.7/dist-packages/pkg_resources/init.py", line 574, in _build_master
ws.require(requires)
File "/usr/lib/python2.7/dist-packages/pkg_resources/init.py", line 892, in require
needed = self.resolve(parse_requirements(requirements))
File "/usr/lib/python2.7/dist-packages/pkg_resources/init.py", line 778, in resolve
raise DistributionNotFound(req, requirers)
pkg_resources.DistributionNotFound: The 'PROPKA==3.1.0' distribution was not found and is required by the application

I'm new to gnu-linux so I don't know what to do to fix this issue. Any help would be very much appreciated.

Thanks in advance !

Samuel

Welcome Samuel!

I'm wondering if this has to do with the PDB file you're using. I just installed propka 3.1 and was able to execute it successfully using thishttps://gist.github.com/cstein/6699200 PDB file.

Can you try running the command again with that file and let us know what the result is?

Also, can you share the output of the command
with us so we know what distro and version of Linux you're running?

Thank you redd9 !

I dont think my issue is related to the pdb file I'm using ; I've tryed several files and I always get this output. I think it has something to do with python 2.7 (pkg_resources). Just so that you know, the propka31 running script is located in user/local/bin.

Here is the content of the propka31 script :

#!/usr/bin/python
# EASY-INSTALL-ENTRY-SCRIPT: 'PROPKA==3.1.0','console_scripts','propka31'
__requires__ = 'PROPKA==3.1.0'
import re
import sys
from pkg_resources import load_entry_point

if __name__ == '__main__':
sys.argv[0] = re.sub(r'(-script\.pyw?|\.exe)?$', '', sys.argv[0])
sys.exit(
load_entry_point('PROPKA==3.1.0', 'console_scripts', 'propka31')()
)

I'm thinking there is something wrong with loading PROPKA==3.1.0 from pkg_resources...

Here is the output of the uname -a command :

samuel@samuel-UX305CA:~$ uname -a
Linux samuel-UX305CA 5.3.0-40-generic #32~18.04.1-Ubuntu SMP Mon Feb 3 14:05:59 UTC 2020 x86_64 x86_64 x86_64 GNU/Linux

Thanks again !