Version update with new updated conda dependencies about protocaller HOT 5 CLOSED

Yes, I forgot to do that, I have edited it now.

from protocaller.

Hi @tsenapathi, this is very good! Since ProtoCaller doesn't depend on pypdb anymore, this is no longer a requirement, but changing htmd-pdb2pqr to pdb2pqr requires some work. The tests for the tentative 1.2.0 version seem to pass now on my own laptop, but strangely enough I can't get the build to work, so there is no conda package yet. I am not exactly sure what is going wrong, I will try to take a look in the next few days, but it might be worth trying to relax the pdb2pqr requirements, as they seem to be clashing with the other dependencies.

from protocaller.

@msuruzhon Great!! Let me know if there is anything I can do to assist.

from protocaller.

The conda package is up and running and I have committed to master. I have also created two releases: 1.1.2, which covers the changes since the overhaul of the Protein Data Bank, and 1.2.0, where the only change relative to 1.1.2 is the pdb2pqr dependency. Both of them should be installable from conda and both of them should be functional. Feel free to test them and reopen if there are any issues.

from protocaller.

@msuruzhon Should we update the README.rst as well?

from protocaller.