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This issue addresses the need to have classes in VIBSO that represent the various Raman spectroscopy assay types defined in the [ISO18115:3](https://drive.google.com/file/d/1xM0vNvgf25k9QXB1hxB6l0E3Xf…
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Given a surface or arbitrary shape, be able to identify locations where ports should be added. Determine the direction normal to the surface and add a port in this direction.
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reported by: @CloudyLex
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Title:
Surface chemistry in the interstellar medium. II. H2 formation on dust with random temperature fluctuations
Authors:
Bron, Emeric; Le Bourlot, Jacques; Le Petit…
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As far as I see, currently there is no option to change the background color (currently it is black), which is very important if I wanna use clear volume and put an image in a paper.
I would also lik…
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It would be super nice if the voxel grid GRO files and the molecular structure files would be super imposable.
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* id: GO:0060333
* name: interferon-gamma-mediated signaling pathway
* def: "A series of molecular signals initiated by the binding of interferon-gamma to a receptor on the surface of a cell, a…
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I am getting the below issue at the moment when running the [minimal example](https://github.com/kolibril13/ipyMolecularNodes/blob/main/minimal.ipynb) as a python script. I briefly looked at the molec…
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Hi,
Near Residue R181 (colored in orange)
https://github.com/schrodinger/pymol-open-source/assets/8821384/286574d7-92f6-40c3-8efd-59ced6470542
the SES surface for protein 7BK1 (pdbid) comp…
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it's clear,when you try to convert a molecular to 3D format ,open babel cannot give correct response.
![stl](https://github.com/openbabel/openbabel/assets/148681573/9f9ae744-c663-4b9e-bd5d-01c757be4d…
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Hello,
The default behavior should be the filter command (because the other commands
should only rarely be used).
-i: input file
-o: output file, same file format than the input (i.e. molecules …