Software Open Access

Dabble

Robin Betz


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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Robin Betz</dc:creator>
  <dc:date>2017-08-01</dc:date>
  <dc:description>Dabble is a tool for building membrane protein systems. The ultimate goal of the project is to create an easy to use, one stop tool for system construction and parameterization.

Some uses for Dabble:


	Prepare membrane protein systems by inserting them into a membrane
	Prepare solvated proteins by adding water
	Add ions to neutralize and/or to desired concentration
	Parameterize with CHARMM or AMBER parameter sets
	Outputs files for simulation with AMBER or CHARMM
	Automatic detection of post-translational modifications
	Modified amino acids made easy
	Ligands made easy! No more messing with atom names.


Dabble can use CHARMM or AMBER parameters, and generate input files for simulating in NAMD, CHARMM, Anton, or Desmond. While Dabble can be run from the command-line, it also provides a powerful API for building and parameterizing systems.

Dabble's full documentation is available at http://dabble.robinbetz.com</dc:description>
  <dc:identifier>https://zenodo.org/record/836914</dc:identifier>
  <dc:identifier>10.5281/zenodo.836914</dc:identifier>
  <dc:identifier>oai:zenodo.org:836914</dc:identifier>
  <dc:relation>url:https://github.com/Eigenstate/dabble/tree/v2.6.3</dc:relation>
  <dc:relation>doi:10.5281/zenodo.836913</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>http://www.opensource.org/licenses/GPL-2.0</dc:rights>
  <dc:subject>molecular dynamics, charmm, amber, lipid</dc:subject>
  <dc:title>Dabble</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
</oai_dc:dc>
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