rdk

Prediction on mmCIF files saved by PyMOL fails with BioJava parsing error `org.rcsb.cif.EmptyColumnException: column auth_seq_id is undefined`. The problem is that PyMOL does not include column `_atom_site.auth_seq_id` even if the...

I have asked about the current status on https://github.com/biojava/biojava/issues/775

> Also, Output location cannot be overridden... is probably resolved with the option -o, or does this refer to something else? Yes this is what I meant, -o wasn't working...

Hi and sorry for a late reply. Currently, there is no easy/straightforward way to do this. If you are still interested, could you say something more about your use case?...

@josemduarte sorry for the delay. Yes I would like to do it. Should I try to do it on the 6.x branch or just for 7.x? Has your thinking about...

@josemduarte thank you very much! I'm going to try it right away.

Fix released in [2.4.1](https://github.com/rdk/p2rank/releases/tag/2.4.1)

Hi @iitb33, what operating system and Java Virtual Machine are you using? Could you paste here an output of running `java -version` on your machine?

Could you try to 1. Paste here the output of command `echo $JAVA_HOME` 2. pull the latest changes on brench develop (there was one dependency that became unavailable and I...

You need to set up your `JAVA_HOME` environment variable correctly. I guess the correct location in your case is `/usr/lib/jvm/java-11-openjdk-amd64/`. You can try it by running the following: ``` export...