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**Steps to Reproduce**
1. Go to Macromolecules mode - Snake mode
2. Load from file: [The lower horizontal part of bond does not shift if there is an overlap.zip](https://github.com/user-attachments/…
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**Steps to Reproduce**
1. Open Macromolecules mode - Flex mode
2. Open Console
3. Add schema from file [Schema nucleotide with chem with different connections.ket.zip](https://github.com/user-attac…
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A tool to calculate deuterium exchange on macromolecules.
At ISIS we've been looking into the capabilities of RDKit (https://www.rdkit.org/), and it seems it can handle most of the stuff we would n…
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**Steps to Reproduce**
1. Go to Macromolecules mode - Snake mode
2. Load from file: [The second of three horizontal bond overlaps backbone connection line.zip](https://github.com/user-attachments/fi…
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Currently upon switching from polymer editor to micromolecules mode while having some monomers on the canvas leads to the quite limited user experience – monomers are displayed as their aliases, their…
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Add RDKit descriptors calculated from SMILES generated from peptide sequence.
- [x] Calculate SMILES for sequence column.
- [ ] Use RDKit on calculated SMILES to get descriptors.
- [ ] Add "Pepti…
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# Background
The JnJ team requested using [Mafft](https://mafft.cbrc.jp/alignment/server/index.html) for DNA/RNA sequence alignment.
# Scope of work
* Implement running MSA via Mafft
* Add UI to…
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Identify different sections (macromolecules, experimental data etc.) and color code them differently on the frontend to help users understand what section they are working on during deposition.
(Not…
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Should we add a top level menu for Metabolomics? or include in data type menu?
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Molecular closures are necessary for doing calculations of phase separating systems with thermal interactions. Without these closures, PRISM predicts the wrong critical temperature scaling with molecu…