nbehrnd

@sanzoghenzo The selection of _one_ Memacs module (e.g., about photos) currently yields the installation _of all_ Memacs modules. Because the functionality was implemented by you, may you look on this...

I'm not aware if the systematic comparison of the output (re hybridization) offered by pysmiles vs. the by other programs like RDKit may become/already is part of checking the consistency,...

> I would appreciate some help to come up with a (good/simple) algorithm to decide whether an atom is (anti)aromatic. The current implementation is (obviously) too simplistic. > Once that's...

A pattern applied in [learnxinyminutes](https://github.com/adambard/learnxinyminutes-docs) is `[language/lang-code]`, e.g. `[awk-fr]` ([example](https://github.com/adambard/learnxinyminutes-docs/blob/master/fr-fr/awk-fr.html.markdown)). *A priori* this should equally apply when filing a PR for a new entry, or revising an already existing entry....

*Speculation:* Maybe this conveys the (potentially wrong) impression to the user the more frequently seen contributors of the project would be involved in the setup and maintenance of the software...

I just notice the same road block: $ obsym bz.xyz Point Group: Segmentation fault in Linux Debian bullseye / sid running apt-based openbabel 3.1.0 (Jan 6, 2021). The following is...

A brief /manual/ consultation of the record page in question, with specific attention to the section /2D structure/.[1] This is the formula of an ester of benzoic acid, though the...

@dence From limited code archeology, my _speculation_ is that the rules around the critical threshold reside in the C/C++ files. In file `/Molecule/iwdemerit.cc` for example contains dozens of functions around...

Issue 2 ([Compiling on Debian](https://github.com/IanAWatson/Lilly-Medchem-Rules/issues/2)) includes a report about a successful compilation with CentOS 7 (gcc 4.8.2) after some adjustments. Despite its age (posted back in 2015), does this resolve...

The following is based on commit `9b6f80a` as curated by IanAWatson under time stamp 05/25/2020 04:01:43 PM -0400. Running a freshly updated installation of Linux Debian 10 (bullseye/sid, testing branch,...