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Electrostatics
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apbs-pdb2pqr
APBS - software for biomolecular electrostatics and solvation
http://www.poissonboltzmann.org/
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Remove stray documentation.
#634
sobolevnrm
closed
3 years ago
0
Move documentation
#633
sobolevnrm
closed
3 years ago
0
Move PDB2PQR-specific docs to separate repo
#632
sobolevnrm
closed
3 years ago
0
Remove APBS code from this repo
#630
sobolevnrm
closed
4 years ago
0
Remove PDB2PQR code from this repo
#629
sobolevnrm
closed
4 years ago
0
Remove APBS code from this repo
#628
sobolevnrm
closed
4 years ago
0
Update README.md and documentation for this repo
#627
sobolevnrm
closed
3 years ago
1
Create separate apbs repo
#626
sobolevnrm
closed
4 years ago
0
Mark/logging caching
#625
sobolevnrm
closed
4 years ago
1
Remove PDB2PQR code from this repo
#624
sobolevnrm
closed
4 years ago
0
Positive potential on hydrophobic protein interfaces
#623
aritzroa
closed
4 years ago
3
Restore ligand functionality to PDB2PQR
#622
sobolevnrm
closed
4 years ago
2
Move PDB2PQR back to its own repo?
#619
sobolevnrm
closed
4 years ago
10
Clean up README.md
#618
sobolevnrm
closed
4 years ago
0
NotImplementedError: PDB2PKA not implemented.
#615
arikat
closed
4 years ago
12
This resolves issue 611
#612
kozlac
closed
4 years ago
1
Separate tests by functionality
#610
sobolevnrm
closed
4 years ago
1
Find dat folder.
#605
kozlac
closed
4 years ago
6
Remove binaries from Git repo
#601
sobolevnrm
closed
4 years ago
9
PyMOL 2.4.0 APBS plug-in not recognising PDB2PQR
#600
DBradley27
closed
4 years ago
4
APBS and Python3
#599
sagitter
closed
4 years ago
7
Large apbs .dx file downloads fail from web server due to server-side error?
#595
sherif10002
closed
4 years ago
8
Possibly reinstate PDB2PKA ligand support
#592
sobolevnrm
closed
4 years ago
0
Double-check Cmake build
#589
sobolevnrm
closed
4 years ago
4
Replace C++ clique-finding with Python
#588
sobolevnrm
closed
4 years ago
0
Please fix really ugly code
#582
sobolevnrm
closed
4 years ago
1
Problem with pdb2pqr.utilities.getFFfile
#575
sobolevnrm
closed
4 years ago
1
PDB2PQR doesn't recognize HETATM with --drop-water
#574
sobolevnrm
closed
4 years ago
2
PDB2PQR --assign-only does not assign charges or radii
#573
sobolevnrm
closed
4 years ago
0
PDB2PQR tests don't actually work
#571
sobolevnrm
closed
4 years ago
1
Add testing for extensions
#570
sobolevnrm
closed
4 years ago
0
Clean up old branches
#569
sobolevnrm
closed
4 years ago
1
Eliminate use of sys.stdout and sys.stderr
#561
sobolevnrm
closed
4 years ago
1
Clean up vestigal Opal & web server files
#558
sobolevnrm
closed
4 years ago
2
PROPKA 3.0 vs 3.1
#551
sobolevnrm
closed
4 years ago
1
Update doc/installing.rst
#547
intendo
closed
4 years ago
1
Merge license files
#546
sobolevnrm
closed
4 years ago
0
Combine APBS & PDB2PQR code bases into single version
#543
sobolevnrm
closed
4 years ago
1
AMBER fix of {N,C}CYS atom HSG to HG
#540
j3mdamas
closed
4 years ago
2
Problem downloading pqr-file
#539
sarsv
closed
4 years ago
4
baker.css no longer available for docs
#537
drew-parsons
closed
4 years ago
3
Multivalue - libraries not found
#536
ssunidhi
closed
4 years ago
5
Unable to use inputgen.py with python3
#534
lvotapka
closed
4 years ago
4
MPI-compiled version adds "PE0" to output file names
#533
chelsell
closed
4 years ago
4
getting UHBD potential from pdb
#532
mwscandura
closed
4 years ago
8
GLIBCXX and CXXABI not found
#531
mwscandura
closed
4 years ago
3
Build failure on Centos 7
#529
mathog
closed
4 years ago
10
terminated by signal SIGSEGV (Address boundary error)
#528
amaurypm
closed
4 years ago
3
apbs cmake compilation issue
#527
ktamiola
closed
4 years ago
4
github apbs compilation issue
#526
Vcald
closed
4 years ago
6
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