Software Open Access
Brethomé, Alexandre;
Fletcher, Stephen P.;
Paton, Robert S.
<?xml version='1.0' encoding='utf-8'?> <resource xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4" xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.1/metadata.xsd"> <identifier identifierType="DOI">10.5281/zenodo.1434440</identifier> <creators> <creator> <creatorName>Brethomé, Alexandre</creatorName> <givenName>Alexandre</givenName> <familyName>Brethomé</familyName> <affiliation>University of Oxford</affiliation> </creator> <creator> <creatorName>Fletcher, Stephen P.</creatorName> <givenName>Stephen P.</givenName> <familyName>Fletcher</familyName> <affiliation>University of Oxford</affiliation> </creator> <creator> <creatorName>Paton, Robert S.</creatorName> <givenName>Robert S.</givenName> <familyName>Paton</familyName> <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0104-4166</nameIdentifier> <affiliation>Colorado State University</affiliation> </creator> </creators> <titles> <title>wSterimol: Generate Boltzmann-weighted Sterimol Steric Parameters for Conformationally-Flexible Substituents</title> </titles> <publisher>Zenodo</publisher> <publicationYear>2018</publicationYear> <subjects> <subject>sterimol</subject> <subject>steric parameters</subject> <subject>cheminformatics</subject> <subject>pymol plugin</subject> <subject>physical organic chemistry</subject> </subjects> <dates> <date dateType="Issued">2018-09-24</date> </dates> <resourceType resourceTypeGeneral="Software"/> <alternateIdentifiers> <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/1434440</alternateIdentifier> </alternateIdentifiers> <relatedIdentifiers> <relatedIdentifier relatedIdentifierType="URL" relationType="IsSupplementTo">https://github.com/bobbypaton/wSterimol/tree/v.1.0.3</relatedIdentifier> <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.1434439</relatedIdentifier> </relatedIdentifiers> <version>v.1.0.3</version> <rightsList> <rights rightsURI="https://opensource.org/licenses/MIT">MIT License</rights> <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights> </rightsList> <descriptions> <description descriptionType="Abstract"><p>First public release of wSterimol - a series of plugins to automate the calculation of Boltzmann-weighted multidimensional Sterimol parameters for conformationally-flexible substituents</p></description> </descriptions> </resource>
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