836914
doi
10.5281/zenodo.836914
oai:zenodo.org:836914
Dabble
Robin Betz
Stanford University
url:https://github.com/Eigenstate/dabble/tree/v2.6.3
info:eu-repo/semantics/openAccess
GNU General Public License v2.0 only
https://www.gnu.org/licenses/old-licenses/gpl-2.0-standalone.html
molecular dynamics, charmm, amber, lipid
<p>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.</p>
<p>Some uses for Dabble:</p>
<ul>
<li>Prepare membrane protein systems by inserting them into a membrane</li>
<li>Prepare solvated proteins by adding water</li>
<li>Add ions to neutralize and/or to desired concentration</li>
<li>Parameterize with CHARMM or AMBER parameter sets</li>
<li>Outputs files for simulation with AMBER or CHARMM</li>
<li>Automatic detection of post-translational modifications</li>
<li>Modified amino acids made easy</li>
<li>Ligands made easy! No more messing with atom names.</li>
</ul>
<p>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.</p>
<p>Dabble's full documentation is available at http://dabble.robinbetz.com</p>
Zenodo
2017-08-01
info:eu-repo/semantics/other
836913
v2.6.3
1579937212.292431
14363862
md5:940f35d0f7b3280eb234d686ac2290ba
https://zenodo.org/records/836914/files/Eigenstate/dabble-v2.6.3.zip
public
https://github.com/Eigenstate/dabble/tree/v2.6.3
Is supplement to
url
10.5281/zenodo.836913
isVersionOf
doi