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Currently CHEBI has individual classes for protonated forms of chemical entities, but oddly does not create grouping class. This would be like an anatomy ontology including terms for "left hand", "rig…
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**Steps to reproduce**
1. Create any structure, for example, chain.
2. Click Periodic table.
3. Open Extended tab.
4. Click Pol in the Special Nodes section, click the OK button and click any st…
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As a User, I want to have an opportunity to control “C” label visibility if the atom is a carbon. Now, it's displayed only if angle is 180 deg.
**Solution**
As a solution it can be additional prop…
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### Summary
When lxd_container passes the configuration from the config option to LXD or Incus and the values used aren't strings you might end up seeing an error "json: cannot unmarshal number into …
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HI,
I am new to Moltemplate. I am trying to build a small organic molecule for lammps. I obtained the all_atom_geometry_optimized.lt, In this file it automatically using GROMOS_54A7_ATB which I wan…
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Currently BioIn detects only the ligands associated with the PDB structures. Although it does not apparently affect the protein processing, many structures have a number of oligosaccharide molecules a…
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### What do you need to help with?
I supposed that H2 ("[H][H]" in smiles) should be rendered as "H-H", but the plugin gives nothing but a blank.
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### Basic information
* My operating system: Windows 11
* My mzmine version: 4.1.0
### What happened
I tried to create my spectral library from the library generation workflow following the …
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When I open Avogadro and go to Build > Cartesian editor, it does not recognize dummy atoms. For example, I can enter coordinates for CO2 and I want to place a dummy atom somewhere (X or Xx), it does n…