Dan Nealschneider

I think that _in Python_ a KeyError should be thrown. The problem is that we're using a C++ Exception to translate into a Python Exception, instead of using `PyErr_SetString(PyExc_KeyError, msg);...

I'll take a look at this - it's an excuse to get my local rdk compiling again

Thanks for the report! this is very interesting

Ok, the general slowness on macrocycles is a known issue. We're also tracking performance issues here: https://github.com/schrodinger/coordgenlibs/issues/39 and in Schrödinger's internal bug tracker. We have efforts underway to sidestep this,...

@jyhpsycho - Would you be able to submit a PR with that patch?

Thanks for the report, @yurivict

@rachelnwalker - Do we think this is fixed by your recent work on template-guided minimization?

Hi Yuri - Thanks for this report/request. I've been considering removing the user templates altogether, and adding a more robust mechanism for including them in the coordgen build. Most issues...

As far as I know, that should be unnecessary, because the data from that templates file is compiled into the library. Was there some sort of error that you experienced...

We could absolutely install a dummy/empty templates.mae file for backwards compatibility with existing applications that have been using coordgen. The templates file is now unnecessary and unused.