Comments (7)
Hello, @msuruzhon @HCl0906 I am working on fixing this issue. I will let you know about the updates here.
from protocaller.
Hi there,
It seems that the PDB2PQR version we are using is not compatible with the most recent PROPKA version. Until this is fixed, I would suggest downgrading the PROPKA package:
conda install -c conda-forge propka=3.1.0
from protocaller.
Hi there,
It seems that the PDB2PQR version we are using is not compatible with the most recent PROPKA version. Until this is fixed, I would suggest downgrading the PROPKA package:
conda install -c conda-forge propka=3.1.0
Yeah it works, thanks!
from protocaller.
Hello, @msuruzhon @HCl0906 I am working on fixing this issue. I will let you know about the updates here.
Thanks!
from protocaller.
The pdb2pqr package is now updated in conda-forge to get the correct dependencies (https://anaconda.org/conda-forge/htmd-pdb2pqr). Apologies for my mistake forgot to change the dependency when I update PROPKA.
from protocaller.
Nice, I also updated the ProtoCaller dependencies just in case.
from protocaller.
Hi all, thanks a lot for your help! The issue has been solved.
from protocaller.
Related Issues (20)
- Abnormal memory usage in protocaller HOT 13
- Can I use ProtoCaller in protein-protein system? HOT 4
- The merge has opened/closed a ring HOT 12
- An input file contains a line longer than 4095 characters HOT 4
- LINCS warning and structure clash HOT 7
- Can I supply a ligand coordinate file as input? HOT 1
- H bond constraint HOT 1
- How to supply a custom pdb file (without pdb id) for protein? HOT 2
- Memory usage constantly growing with the number of perturbations. HOT 6
- How to restore ligand from parametrised file? HOT 2
- Select chain from polymer HOT 5
- Molecule ID not found HOT 1
- Explicit valence for atom # 37 C greater than permitted HOT 5
- Error while calling command 'antechamber' HOT 1
- minimise not take effect when protonated was set to True HOT 2
- Invalid file format for file HOT 2
- tleap failed for protein HOT 2
- Not all chains are contained in the FASTA sequence
- Installing error
- running error
Recommend Projects
-
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
-
Vue.js
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
-
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
-
TensorFlow
An Open Source Machine Learning Framework for Everyone
-
Django
The Web framework for perfectionists with deadlines.
-
Laravel
A PHP framework for web artisans
-
D3
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
-
Recommend Topics
-
javascript
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
-
web
Some thing interesting about web. New door for the world.
-
server
A server is a program made to process requests and deliver data to clients.
-
Machine learning
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
-
Visualization
Some thing interesting about visualization, use data art
-
Game
Some thing interesting about game, make everyone happy.
Recommend Org
-
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
-
Microsoft
Open source projects and samples from Microsoft.
-
Google
Google ❤️ Open Source for everyone.
-
Alibaba
Alibaba Open Source for everyone
-
D3
Data-Driven Documents codes.
-
Tencent
China tencent open source team.
from protocaller.