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### Suppose add a Polymers Bees as silicone, epoxid i.c. on hight hier
What do you think about this?
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in [dfg-2020.concepts.csv](https://github.com/gbv/jskos-data/blob/master/dfg/dfg-2020.concepts.csv)
| level | notation | prefLabel@de | prefLabel@en |
|-------|----------|--------------|--------…
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**As a** *curator*
**I want** *to be able to use additional menus that built into marvinjs but not currently displayed for repeating groups, smart R, R-group attachement, and radicals*
**So that** *…
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[lmp_votca_test.zip](https://github.com/votca/xtp/files/6899013/lmp_votca_test.zip)
xtp_map gives segmentation fault when two same molecules have different atom sequences in the Lammps data file (t…
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## Is your feature request related to a problem? ##
The PDB standard defined location 22 as chain ID.
The charmm standard defined the segment id being a 4 letter ID starting at 73.
Currently, mda…
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### Problem
Some of the "StdChemicalNames" (stored as type nm:compound) are non-unique.
### Cause
Unknown, possibly during XML ingest/conversion
### Bottom Line
Of the 61 unique names, …
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Hi all, I was wondering if there might be a simple way to mask particular atoms and molecules when calculating the system energy -- this would be useful for getting the energy changes for monte carlo …
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**A summary of the question or discussion topic.**
Currently, if I want to apply a forcefield to a large system, I define a compound and box and use mbuild.packing.fill_box() to create my system. The…
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Why so large a share of articles from 2016 are missing DOI?
![image](https://user-images.githubusercontent.com/5832902/84658432-cef7bf80-af0d-11ea-9bcf-52b82835f6b7.png)
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The `visualization` module uses [TMAP](http://tmap.gdb.tools) (alongside [faerun](https://github.com/reymond-group/faerun-python)) to generate the graphs.
It should be added to the project. However…