Skip to content
Navigation Menu
Sign in
Products
Platform
GitHub
Repository hosting, code review, and collaboration
Copilot
AI coding agent for tasks, projects and automated work
Build & Ship
Actions
CI/CD and automation
Code Quality
Quality analysis, fixes, and enforcement
Codespaces
Cloud development environments
Secure
Code Security
Vulnerability detection and remediation
Secret Protection
Secret scanning and leak prevention
All Features
Developers
Learn
Documentation
Training
Certifications
Build
Build with Copilot
Customize Copilot
Integrations
Explore
Trending repos
GitHub Sponsors
Developer articles
Changelog
Changelog
Your source for the latest features, improvements, and fixes across GitHub products, all in one place.
Businesses
By Stage
Enterprises
Team
Startups
Nonprofits
By Industry
Healthcare
Financial services
Manufacturing
Government
See all industries
Evaluate GitHub
Why GitHub
Customer Stories
Business insights
Trust Center
Add-ons
GitHub Advanced Security
Enterprise-grade code security
Copilot for business
Enterprise-grade AI features
Premium Support
Enterprise-grade 24/7 support
Resources
Learn & Connect
Documentation
Resource center
Blog
Events & webinars
Community Forum
Customer Stories
Integrations
Support
Customer support
Training
GitHub Status
Company
About
Partners
Changelog
GitHub Universe
GitHub Universe
The event for developers, by developers — talks, workshops, and what’s next for GitHub.
Pricing
Search
/
Sign in
Sign up
Appearance settings
You signed in with another tab or window.
Reload
to refresh your session.
You signed out in another tab or window.
Reload
to refresh your session.
You switched accounts on another tab or window.
Reload
to refresh your session.
Dismiss alert
{{ message }}
BALL-Project
ball
Repository navigation
Code
Issues
74
(74)
Pull requests
Actions
Projects
Wiki
Security and quality
Insights
More
items
Developer Getting Started
Jump to bottom
Edit
New page
philthiel edited this page
May 24, 2017
·
4 revisions
Coding Style
Reporting bugs
Third-party dependencies
Setting up a development environment
Hacking Guide
A guide how to commit
Discussion Pages
The current state of the Python bindings
Wiki pages
Pages
156
Loading
Home
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
1LetterCode
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
AddHydrogensToLigand
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
AddHydrogensToProtein
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
AmberEnergyEvaluations
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
AromatizeMolecule
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
AssignRadii
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALL Coding Style
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALL Development Environment
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALL Hacking Guide
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALL Project Wiki Pages
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALL Sprint 2015
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ballaxy
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ballaxy_Help
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ballaxyPlugin
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BallDevelopmentModel
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLDocGit
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLPlugins
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLPythonScripting
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLRetreat_2015_1
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLRetreat_2015_2
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLsPhysicalConstants
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BALLView_translations
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Bitrot
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BOAConstructor_Examples
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BOAConstructor_Help
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BOAConstructor_NewPenaltyTable
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BOAConstructor_Tutorial
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Bug Reporting
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Build from Source: Linux
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Build from Source: macOS
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Build from Source: Windows
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Build Instructions
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Build Troubleshooting
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_DownloadFromPDB
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_Einfuehrungstutorial_fuer_Lehrer
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_ExpressionBar
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_FindingBindingPockets
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_MDSimulation
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_PeptideBuilder
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_PubChem
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_PythonScripting
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_SMILES
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_ToolsForLigands
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_ToolsForProteins
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
BV_VolumeVisualization
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuite
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteAnalysis
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteDocking
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteMolDB
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteParallelization
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteQSAR
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteRescoring
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CADDSuiteTools
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CheckIfAromaticWithoutAssigningAromaticity
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CodeLibrary
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ComputeAngle
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ComputeBondOrders
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ComputeHydrogenBondsOfMolecule
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ComputeHydrogenBondsOfMolecule_old
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ComputeSAS
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ComputeSecondaryStruture
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Contact and Support
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ConvertAtomNames
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ConvertFileFormats
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Core20
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CreateAPeptide
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CreateASimpleMolecule
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CreatePythonBinding
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CreateRepresentation.py
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
CreateTemporaryFiles
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
DetermineElementType
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
DetermineResidueSequence
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Developer Getting Started
Loading
DevelopmentEnvironmentAutotools
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
DisableWarnings
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Discussion Pages
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Documentation
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
FAQ
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
FragmentDBRedesign
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
FurtherDevelopment
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
GetBackboneAtoms
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
GetChain
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Getting Started
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
How To Commit
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
HowToCite
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Install CADDSuite
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Interoperability
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllAtomPairsInAnAtomContainer
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllAtomsOfAMolecule
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllAtomsOfAResidue
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllBondsInAnAtomContainer
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllBondsOfAnAtom
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllChainsInASystem
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllChainsOfAProtein
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllProteinsOfASystem
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllResiduesOfAChain
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverAllResiduesOfASystem
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
IterateOverSMARTSSpecifiedAtomsInASystem
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
KekulizeMolecule
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
KnownIssues
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
LoadDCDFileIntoProtein
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
LoadPDBFileIntoProtein
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
LocateAtomsInSpatialProximity
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
MachineLearning
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Makefile
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Mapping2Proteins
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
MinimizeAProtein
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
MolFileFactory
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
NewBALLRelease
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
NewToolSetup
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
NightShift_Help
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
NightShift_Help
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
NightShift_Tutorial
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
NMRFile
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
PackagesBALL1_3_2Kubuntu9_10
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
PageTemplates
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
PeptideCaps
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
presentaBALL
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ProteinMutation
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python Binding State
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_AddHydrogensToProtein
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_CreateGeometricObjects
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_IdentifyNeighborResidues
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_MDSetup
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_MinimizeRMSD
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_RemoveWater
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Python_UpdateBALLViewSceneWithPython
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
RebasingToNewDevel
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
RecentChanges
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Release Notes
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Release Notes 1.3 Series
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Release Notes 1.4 Series
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Release Notes 1.5 Series
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
RemoveWaterInSystem
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Retreat2010
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Retreat2011
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
RMSD
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Rotamer
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
SandBox
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
SetupBallaxyInstance
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
SetupPythonScript
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
StoreUserDefinedProperties
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Third Party Dependencies
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
TitleIndex
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
ToDo
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
tool_list
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Translate3LetterTo1Letter
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
TranslateAMolecule
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
Tutorials
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
UpdatingContribRepositories
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
UsingCMakeExternally
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
UsingVIEW
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
WriteAPDBFile
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
WriteDCDFile
Uh oh!
There was an error while loading.
Please reload this page
.
Loading
WritingPlugins
Uh oh!
There was an error while loading.
Please reload this page
.
Show 141 more pages…
Navigation
Getting Started
Get BALL
Build Instructions
Build Troubleshooting
How to Cite
Help
Tutorials
Documentation
Contact and Support
FAQ
For Developers
Getting Started
Clone this wiki locally
You can’t perform that action at this time.