makson96 Dynamics issues

makson96 / Dynamics

Dynamics PyMOL Plugin

GNU General Public License v3.0

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issues

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Plugin inmodular structure, adjusted to newer versions of Gromacs and Pymol

#105 ntkaf closed 2 months ago
0
Missing parentheses in call to 'print'

#104 sean-smith opened 1 year ago
1
Plugin coded using Python2, PyMol2.5 runs with Python3

#103 moritzgls opened 2 years ago
1
unable to start GROMACS plugin

#102 anu-bioinfo opened 3 years ago
1
Gromacs : /bin/sh: gmx: command not found

#101 christianpoirier opened 3 years ago
1
Fix #99: InterpretationWindow() not callable

#100 speleo3 closed 3 years ago
1
PyMOL-2.5.0a0/Gromacs / TK Error

#99 spmolnar closed 3 years ago
3
os.getenv("HOME") -> os.path.expanduser('~')

#98 speleo3 closed 5 years ago
1
Plugin crashes with GROMACS with MPI

#97 makson96 opened 5 years ago
0
Default implicit solvent fails with GROMACS 2018

#96 makson96 opened 6 years ago
1
better PyMOL 2.x support

#95 speleo3 closed 6 years ago
2
Python 3 compatibility

#94 speleo3 closed 6 years ago
0
Port to PyQt5

#93 makson96 opened 6 years ago
2
Compatibility for PyMOL 2.0

#92 makson96 opened 6 years ago
2
Better GROMACS error handling

#91 makson96 opened 6 years ago
0
Transfer software to private account

#90 makson96 closed 6 years ago
0
concatenate error

#89 ever4cyth closed 6 years ago
0
Plugin compatibility between Pymol on Windows and Gromacs on Windows 10 WSL

#88 ggotthar opened 7 years ago
1
Fix importing saves from plugin 2.0 to 2.1

#87 ghost closed 7 years ago
0
Plugin fails simulation on protein-ligand complex system

#86 ghost closed 6 years ago
0
Automated testing

#85 ghost opened 7 years ago
1
GROMACS 5.0 will not work with "ns_type = simple"

#84 ghost closed 7 years ago
0
Add genion support

#83 ghost closed 7 years ago
1
Make tk window with information about missing GROMACS

#82 ghost closed 7 years ago
0
'nstxout' error in GROMACS when changing simulation time

#81 mtrellet closed 7 years ago
1
No such file or directory error when using positional restraints from PyMol selection

#80 mtrellet closed 7 years ago
1
Work with Gromacs 2016.1?

#79 rjrich closed 7 years ago
2
MD run with interchain disulfide bond

#78 clinntt closed 7 years ago
1
Plugin not working as normal user

#77 pratik-narain closed 7 years ago
5
Docking

#76 ghost opened 8 years ago
2
Add client<->server communication

#75 ghost opened 8 years ago
1
gmx_mpi not detected

#74 hackerzone85 closed 7 years ago
1
problem in pymol-1.8

#73 albumns closed 8 years ago
1
Remove support for GROMACS 4.x

#72 ghost closed 8 years ago
0
Add support for GROMACS 5.1

#71 ghost closed 7 years ago
2
Do not try to use GROMACS if not detected

#70 ghost closed 8 years ago
0
GROMACS 5 on OpenSUSE does not symlink gmx

#69 ghost closed 8 years ago
0
in save_options global name 'vectors_prody' is not defined

#68 ghost closed 9 years ago
0
Release 2.1

#67 ghost closed 7 years ago
0
GROMACS 5.X support

#66 ghost closed 9 years ago
1
IndexError: list index out of range

#65 leonqli closed 10 years ago
0
function create_config_files()

#64 leonqli closed 10 years ago
0
Release 2.0

#63 ghost closed 9 years ago
3
Rethink save/load projects

#62 ghost opened 10 years ago
2
Disable water box configuration, when implicit solvent is on.

#61 ghost closed 10 years ago
0
Marking important things on display

#60 ghost closed 10 years ago
0
Perform MD even if EM and PR is not performed.

#59 ghost closed 10 years ago
0
In calculation window add option to view full log.txt

#58 ghost closed 10 years ago
0
When you stopped calculations the progress bar is blinking

#57 ghost closed 10 years ago
0
Mode Vectors

#56 saraboch closed 10 years ago
0