Running InsTy in Parallel

[groponp]

Dear,

Is There any way to running Insty in Parallel?

Calc hydrogens bonds from trajectory is very slow.

[jamesmkrieger]

I did try doing something similar to what I did for watfinder but it’s not quite working yet. Hopefully we can get round to figuring it out soon

You’re welcome to checkout my branch and try it. Maybe you can get it working ok for you

git remote add james https://github.com/jamesmkrieger/ProDy
git fetch james
git checkout parallel_insty

otherwise, I’d suggest analysing a smaller selection or atoms and/or frames

[groponp]

Thansk so much, for your help. I would can try.

[jamesmkrieger]

Hello, I've just updated the parallel insty so please do a git pull and try again. I think everything should be working now, including for multi-model pdbs.

see #1945

[jamesmkrieger]

Hello, we now have more fixes and we should be merging parallel insty into the main branch soon

calcHydrogenBondsTrajectory should work well now