Closed Aunity closed 2 years ago
This appears to be a PROPKA problem; I can reproduce it with just propka3 protein.pdb
using PROPKA 3.4.0.
Closing this in lieu of https://github.com/jensengroup/propka/issues/140
Has this issue been resolved yet? I also got this issue.
The associated issue https://github.com/jensengroup/propka/issues/140 is still open. We welcome community contributions to help fix issues like this.
@trandinhquangloc I have modified the code like this and solved this problem, but i don't know whether it is right. https://github.com/Aunity/propka
Thank you @Aunity, it does work. I found that propka3 can work without errors in a regular pdb structure (e.g. 1t64.pdb1), but after I use PDBFixer to fix small loops, non-standard residuals, then execute point mutation on this structure, things start to happen. It seems like the error usually comes from the custom structure.
Can you share your case that produced the error?
Hi,
I'm running pdb2pqr with command
and I got some errors like this:
And this is my environment information:
my protein file is here: protein.zip