Electrostatics APBS_Sphinx issues

Electrostatics / APBS_Sphinx

APBS Rewrite

http://www.poissonboltzmann.org

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issues

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Investigate viability of using Docker to distribute

#47 keith923 opened 7 years ago
0
Coulomb/ screened Coulomb treecode plugin

#46 lwwilson1 opened 8 years ago
0
Mix and match command line and file options

#45 keith923 opened 8 years ago
0
Issue 42

#44 Jiahuic closed 8 years ago
0
Sink / Source "None"

#43 keith923 closed 8 years ago
1
Sphinx plugin: TABI-PB solver

#42 Jiahuic opened 8 years ago
0
Generalized plugin parameter definition and handling

#41 keith923 closed 8 years ago
1
APBS Plugin

#40 keith923 opened 8 years ago
0
File reader should error when it can't open a file

#39 keith923 opened 8 years ago
0
Add debug flag to apbs.py

#38 keith923 closed 8 years ago
4
Add preprocessor to pipeline files

#37 keith923 closed 8 years ago
2
Update sources to PEP 492 syntax

#36 keith923 closed 8 years ago
8
Type Definition

#35 keith923 opened 8 years ago
0
Plugin that fetches a PDB file

#34 keith923 closed 8 years ago
3
Sphinx Plugin: PBAM solver

#33 lfelberg opened 8 years ago
2
Amino acid patch Plugin

#32 keith923 opened 8 years ago
0
NanoShaper Plugin

#31 keith923 opened 8 years ago
0
MSMS Plugin

#30 keith923 opened 8 years ago
2
Molecules anyone?

#29 keith923 opened 8 years ago
0
Document writing a plugin

#28 keith923 opened 8 years ago
0
Fix post CI broken tests

#27 keith923 closed 8 years ago
1
Plugin loading should be smarter

#26 keith923 closed 8 years ago
2
Update Plugins to accept lists of data

#25 keith923 closed 8 years ago
5
Sphinx Plugin: AMBER force field parser

#24 keith923 closed 8 years ago
0
Sphinx Plugin: assign charges and radii

#23 keith923 opened 8 years ago
0
update geometric flow plug in to new API

#22 lizutah opened 9 years ago
1
Local browser interface

#21 lizutah opened 9 years ago
0
Remote execution of solvers

#20 lizutah opened 9 years ago
0
Sphinx Plugin: FEM Solver

#19 lizutah opened 9 years ago
0
Sphinx Plugin: PETSc solver

#18 lizutah opened 9 years ago
1
Sphinx Plugin: Organize data for PDB2PQR

#17 lizutah opened 9 years ago
0
Sphinx Testing Framework

#16 lizutah opened 9 years ago
0
Documentation: integrate sphinx for automated documentation generation

#15 lizutah opened 9 years ago
0
Sphinx Plugin: PDB2PQR - PropKa

#14 lizutah opened 9 years ago
0
Sphinx Plugin: PDB2PQR - add ligand

#13 lizutah opened 9 years ago
0
Sphinx Plugin: PDB2PKA

#12 lizutah opened 9 years ago
0
Sphinx Plugin: PDB2PQR

#11 lizutah closed 8 years ago
1
Sphinx Plugin: PQR file writer

#10 lizutah opened 9 years ago
0
Sphinx Plugin: CHARM file reader

#9 lizutah opened 9 years ago
0
Sphinx Plugin: Ligand file reader

#8 lizutah opened 9 years ago
0
Sphinx Plugin: PDB Reader

#7 lizutah closed 8 years ago
1
Bootstrap Python library installation

#6 lizutah closed 8 years ago
2
Sphinx Databus: validate data transfer between plugins

#5 lizutah closed 8 years ago
0
Sphinx Databus: extend to APBS core data types

#4 lizutah closed 8 years ago
1
Sphinx: Unit testing implementation

#3 lizutah opened 9 years ago
2
Sphinx Databus: extend to MDB

#2 lizutah closed 8 years ago
6
Sphinx Databus: Implement PDBx/MMCIF

#1 lizutah closed 8 years ago
6