issues
search
Electrostatics
/
apbs-pdb2pqr
APBS - software for biomolecular electrostatics and solvation
http://www.poissonboltzmann.org/
128
stars
62
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Bug in psize.py?
#525
Jerkwin
closed
4 years ago
6
PDB with 2 ZN+ ligands
#524
skigirl618
closed
4 years ago
3
Correct LICENSE.md
#523
chrisburr
closed
5 years ago
0
missing modified phosphorylated residue in PQR file
#521
etillym
closed
4 years ago
3
MacOS problems
#520
mwfranklin
closed
5 years ago
8
extension .py.in import fails
#519
mjag1898
closed
5 years ago
1
Web Server: "Help" button - 404 page does not exist
#518
bieniekmateusz
closed
4 years ago
2
Which takes precedence - "parm" or pdb2pqr?
#517
jaredsagendorf
closed
4 years ago
1
Python 3 compatibility for pdb2pqr
#516
speleo3
closed
4 years ago
6
Fixed many of the broken links within the web server homepage
#515
Eo300
closed
6 years ago
0
Updated URL within getPDBFile() to obtain PDB files from the current URL of databank
#514
Eo300
closed
6 years ago
0
The webserver is down
#513
bieniekmateusz
closed
6 years ago
7
No idea what is wrong now
#512
skigirl618
closed
6 years ago
8
calculating non-protein electrostatics
#511
dvdvbrn
closed
4 years ago
1
g_mmpbsa calculation
#510
dplizyy
closed
4 years ago
5
Error message that I have no idea how to fix
#509
skigirl618
closed
6 years ago
2
Source code releases for APBS-1.5 are missing source code for external subdirectories
#508
jwhowarth
closed
6 years ago
3
Windows binary at Sourceforge
#507
thomas836
closed
6 years ago
5
No heavy atoms found for RNA coordinates
#506
chenzhao-CZ
closed
4 years ago
3
It would be nice to incorporate the xyz functionality into the READ input file section block.
#505
sobolevnrm
closed
4 years ago
0
We need documentation for tolsp.
#504
sobolevnrm
closed
4 years ago
0
Add a constant keyword (e.g., like position) before the {pos} argument of term.
#503
sobolevnrm
closed
5 years ago
0
The PB-SAM surf command is redundant with and should be replaced by the existing usemesh command.
#502
sobolevnrm
closed
5 years ago
0
The PB-(S)AM salt keyword should be eradicated and replaced with the ion keyword.
#501
sobolevnrm
closed
5 years ago
0
The dynamics part of the PB-(S)AM code should be moved out of the ELEC section.
#500
sobolevnrm
closed
5 years ago
0
If there’s only one mode to PBAM, let’s call it pbam instead of pbam-auto.
#498
sobolevnrm
closed
5 years ago
0
The msms keyword should be removed and replaced with a more general alternative: either the mesh surface option in bem-manual or the existing APBS srfm (elec).
#497
sobolevnrm
closed
5 years ago
0
The integer flag values for mesh should be replaced by human-readable strings.
#496
sobolevnrm
closed
5 years ago
0
It would be better to generalize the READ input file section section of the input file rather than use the imat command.
#495
sobolevnrm
closed
4 years ago
0
The PB-(S)AM gridpts keyword should not exist; it’s duplicative of the existing dime keyword!
#494
sobolevnrm
closed
5 years ago
0
If there’s only one mode, then we can change the keyword from geoflow-auto to just geoflow.
#492
sobolevnrm
closed
5 years ago
0
It would be better to generalize the READ input file section section of the input file rather than use the exp command.
#489
sobolevnrm
closed
4 years ago
1
The PB-(S)AM dx keyword should not exist; please replace it ASAP with the write command.
#488
sobolevnrm
closed
4 years ago
0
PB(S)AM should make better use of the 'mol id' flags
#487
sobolevnrm
closed
4 years ago
0
What are the units for dRot in PB(S)AM?
#486
sobolevnrm
closed
4 years ago
1
It would be nice if all APBS-related code used kJ/mol.
#485
sobolevnrm
closed
4 years ago
2
If there's only one mode, then we can change ``bem-manual`` to just ``bem`` or ``tabi``?
#484
sobolevnrm
closed
7 years ago
2
Why are ``srfm``, ``srad``, etc. included in ``bem-manual`` input files when the surface type is determined by the mesh?
#483
sobolevnrm
closed
7 years ago
3
The PB(S)AM 3dmap keyword is redundant
#482
sobolevnrm
closed
4 years ago
0
rok edits
#480
sobolevnrm
closed
7 years ago
0
minor changes
#478
dkoes
closed
7 years ago
0
Update and rename apbs-update.tex to apbs-update_THG.tex
#477
thgucb
closed
7 years ago
0
Problem of installing apbs-1.4.1
#475
ghost
closed
7 years ago
7
set execute permission for APBS tools binaries
#474
guowei-he
closed
7 years ago
0
APBS tools binary permissions
#473
guowei-he
closed
7 years ago
1
License?
#472
hofmockel-zz
closed
7 years ago
1
BUILD_SHARED_LIBS Not Working With Externals
#470
kozlac
closed
4 years ago
0
SLURM and APBS
#469
kozlac
closed
7 years ago
1
APBS-1.5-linux64 binary release requires g++ version 5 libraries installed?
#468
rubadub
closed
7 years ago
2
'make install' fails when '-DBUILD_TOOLS=OFF' is used
#467
rubadub
closed
7 years ago
3
Previous
Next