Irfan Alibay

> For example, the user guide currently has a Write your own analysis tutorial. I have targeted it at intermediate users who want to do something easy (e.g. radius of...

@bobym this is the same problem as the cdk2 issue it seems?

@jchodera just pinging you to see if this plan we came up with works for you? We're working on the idea that OpenFE and Perses are the same underlying code...

@ijpulidos just as a follow-up from today's meeting, here is the code necessary to deserialize a network yaml file into a LigandNetwork ```python import yaml from rdkit import Chem import...

Apologies for the delay in responding @bcossins - @bobym or @jchodera might have the full details of what happened with this (we're waiting on a couple of PRs before we...

hif2a's lig_224 "clash" is a 0.79 A overlap between atoms O25 and C27. See below for weird geometry.

@dotsdl I'm unable to reproduce the clash you identified for cmet, visual inspection seems fine, could you double check here?

As a follow-up, do we actually want to keep thrombin? I was under the impression that the reason it was rejected from the set was down to a low dynamic...

I believe it's still in QA last I saw @dotsdl

Doesn't seem very useful to me, although this might be a consideration for #67?