jensengroup / propka

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
http://propka.org
GNU Lesser General Public License v2.1
258 stars 58 forks source link

New release of PROPKA #111

Closed sobolevnrm closed 7 months ago

sobolevnrm commented 3 years ago

Hi @speleo3 and @orbeckst --

Based on #105 and other comments, I think we need to release a new bug-fix version of PROPKA. Do you agree? if so, I will start the process:

Thank you,

Nathan

speleo3 commented 3 years ago

Bug-fix release sounds good to me.

tsenapathi commented 3 years ago

@sobolevnrm yes of course I am willing to help with the conda release.

sobolevnrm commented 3 years ago

@sobolevnrm yes of course I am willing to help with the conda release.

Excellent! 3.4.0 has been tagged and pushed to PyP; could you please push to conda?

Thanks!