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Amber can give different names to histidine amino acid by examining which protons are present : HID, HIE, or HIP instead of HIS.
This raises an issue when featurizing the protein in Diffdock becaus…
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When single residue alpha helices are present in the structure and tubular helices is on, a gap is shown instead of a tubular helix. Here is a test state [test.molj](https://github.com/user-attachment…
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# Core Tripal 4 Development Task
As metioned on PR #1388 the Sequence Residues field is in need of validation so that it won't let someone put data that is not DNA/RNA or amino acid sequenc…
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Imported from SourceForge on 2024-07-02 15:29:53
Created by **[aleksasd](https://sourceforge.net/u/aleksasd/)** on 2012-07-11 06:37:22
Original: https://sourceforge.net/p/maxima/bugs/2443
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Wrong:…
rtoy updated
4 months ago
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Is it possible to loop through each residue and colour them? I am loading a PDB file and would like to colour each residue based on experimental value I get for each residue.
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### My Question is...
When do Decomposition analysis, selected some residues, but gmx_MMPBSA_ana do not show all of them.
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I was trying to parametrize a protein with a TPO residue, but I encountered an error. Could you please help me?
[protein_prep.txt](https://github.com/user-attachments/files/16683847/protein_prep.tx…
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When I run the following code:
```py
from sympy import *
z = Symbol("z")
print(residue(exp(-1 / z), z, 0))
```
It prints $0$. However, the residue should be $-1$.
Proof:
```math
e^z=1+\frac{z}{1!}+\fr…
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Hi There,
I first want to say that for my cases PDBFixer is superior to other methods. For the case of 7zaw.pdb - Human GPC3 having missing atoms and residues (many) - PDBFixer is able to add the m…
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* **PTHR ID & PTN node:**
GO:0004742 | dihydrolipoyllysine-residue acetyltransferase activity | IBA with locus:2092070 , PTN002351721 , 619859 , P10515 , Q8IJJ4 , S000005015 | GO_REF:0000033
…