search

salilab / pmi

Python Modeling Interface
https://integrativemodeling.org/nightly/doc/ref/namespaceIMP_1_1pmi.html
12 stars 11 forks source link

Additions to EM and crosslinking restraints. Minor modifications in ReplicaExchange macro #263

Closed shreyas-arvindekar closed 8 months ago

shreyas-arvindekar commented 8 months ago

get_likelihood() function added to the restraints.

Some arguments for the use of nested sampling added to ReplicaExchange macro

benmwebb commented 8 months ago

... also, please address the issues reported by the CI. Notably, you should run flake8 on any Python files you've modified and fix any issues it reports. Also, IMP still supports Python 2, so Python 3-only features (e.g. f-strings) should be avoided.

benmwebb commented 8 months ago

This all looks good to me now; please just fix the minor issues flake8 noted, then I can merge, unless @iecheverria has objections?

iecheverria commented 8 months ago

Looks good to me!

On Wed, Mar 13, 2024 at 4:37 PM Ben Webb @.***> wrote:

This all looks good to me now; please just fix the minor issues flake8 noted, then I can merge, unless @iecheverria https://github.com/iecheverria has objections?

— Reply to this email directly, view it on GitHub https://github.com/salilab/pmi/pull/263#issuecomment-1996090758, or unsubscribe https://github.com/notifications/unsubscribe-auth/ADBZGA4JCNVKJE3TUECHA7LYYDPNHAVCNFSM6AAAAABEHBX32KVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMYTSOJWGA4TANZVHA . You are receiving this because you were mentioned.Message ID: @.***>

--

Ignacia Echeverria, Ph.D. Assistant Adjunct Professor Department Cellular and Molecular Pharmacology University of California, San Francisco http://salilab.org/~ignacia