Comments (4)
commented on July 18, 2024
We should check this out for this task:
http://www.pymolwiki.org/index.php/Modevectors
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commented on July 18, 2024
Here is the file format which we want to incorporate:
http://www.csb.pitt.edu/prody/reference/appendices/nmd_format.html
from dynamics.
commented on July 18, 2024
The direction of result vectors is exact with NMWiz, but length is only approximation. We need to research on NMWiz further or contact its author to get exact formula for calculation the vector length.
from dynamics.
commented on July 18, 2024
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If animation is played, then tentry should track it and display actual time.
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We should make plugin work gracefully without ProDy (non vectors then).
from dynamics.
Related Issues (20)
- Gromacs : /bin/sh: gmx: command not found HOT 1
- unable to start GROMACS plugin HOT 1
- Plugin coded using Python2, PyMol2.5 runs with Python3 HOT 1
- Missing parentheses in call to 'print' HOT 1
- 'nstxout' error in GROMACS when changing simulation time HOT 1
- Make tk window with information about missing GROMACS
- Add genion support HOT 1
- GROMACS 5.0 will not work with "ns_type = simple"
- Automated testing HOT 1
- Plugin fails simulation on protein-ligand complex system
- Fix importing saves from plugin 2.0 to 2.1
- Plugin compatibility between Pymol on Windows and Gromacs on Windows 10 WSL HOT 1
- concatenate error
- Transfer software to private account
- Better GROMACS error handling
- Compatibility for PyMOL 2.0 HOT 2
- Port to PyQt5 HOT 2
- Default implicit solvent fails with GROMACS 2018 HOT 1
- Plugin crashes with GROMACS with MPI
- PyMOL-2.5.0a0/Gromacs / TK Error HOT 3
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