isambard
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isambard-uob
Intelligent System for Analysis, Model Building And Rational Design of biomolecules.
Much like in AMPAL, we should simplify installation by adding Cython in setup_requires.
Fails to implement Scwrl4 correctly when using ISAMBARD on Mac OS - gives the following error ``` CalledProcessError Traceback (most recent call last) /var/folders/fp/z81k35zn0tgg05n4p_cm85lm0000gp/T/ipykernel_13690/3544206324.py in ----> 1 x = modelling.pack_side_chains_scwrl(my_pdb,...
It'd be useful to have an `executable_path` argument for `run_scwrl`, `scwrl_available` and `pack_side_chains_scwrl` with a default value of `Scwrl4` (i.e. on the path), so that people can use Scwrl even...
dear sir when i run "python setup.py install" in cmd, i got this UnicodeDecodeError: so, it's unable to use isambard in windows?
How to generate an anti-parallel coiled-coil of 4 chains? Can you give me an example ? Thanks!
Hi, I'm struggling to find a way with the `ampal` module to get all H-bonds (Sidechain-Sidechain, Sidechain-Mainchain, etc) and Knobs into Holes, given a PDB. With previous `isambard` versions I...
Hello, Out of curiosity, are you planning to build an isambard conda package? All the python codes I use for molecular modelling are now available as conda packages which facilitate...
I'd also be interested in getting the z_shift (I guess it's just the distance between the correct C_alpha atoms projected onto the reference axis?).
- [ ] Knobs-into-holes - [ ] Loop modelling
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Intelligent System for Analysis, Model Building And Rational Design of biomolecules.