MOLMOL: a program for display and analysis of macromolecular structures.
Identifieur interne : 001201 ( Main/Exploration ); précédent : 001200; suivant : 001202MOLMOL: a program for display and analysis of macromolecular structures.
Auteurs : R. Koradi [Suisse] ; M. Billeter ; K. WüthrichSource :
- Journal of molecular graphics [ 0263-7855 ] ; 1996.
Descripteurs français
- KwdFr :
- Aprotinine (composition chimique), Conformation d'acide nucléique (MeSH), Facteurs de transcription (MeSH), Facteurs temps (MeSH), Glutarédoxines (MeSH), Glutathion (composition chimique), Infographie (MeSH), Interface utilisateur (MeSH), Modèles moléculaires (MeSH), Oxidoreductases (MeSH), Phéromones (composition chimique), Propriétés de surface (MeSH), Protéine antennapedia (MeSH), Protéines (composition chimique), Protéines nucléaires (MeSH), Protéines à homéodomaine (composition chimique), Simulation numérique (MeSH), Spectroscopie par résonance magnétique (MeSH), Structure secondaire des protéines (MeSH).
- MESH :
- composition chimique : Aprotinine, Glutathion, Phéromones, Protéines, Protéines à homéodomaine.
- Conformation d'acide nucléique, Facteurs de transcription, Facteurs temps, Glutarédoxines, Infographie, Interface utilisateur, Modèles moléculaires, Oxidoreductases, Propriétés de surface, Protéine antennapedia, Protéines nucléaires, Simulation numérique, Spectroscopie par résonance magnétique, Structure secondaire des protéines.
English descriptors
- KwdEn :
- Antennapedia Homeodomain Protein (MeSH), Aprotinin (chemistry), Computer Graphics (MeSH), Computer Simulation (MeSH), Glutaredoxins (MeSH), Glutathione (chemistry), Homeodomain Proteins (chemistry), Magnetic Resonance Spectroscopy (MeSH), Models, Molecular (MeSH), Nuclear Proteins (MeSH), Nucleic Acid Conformation (MeSH), Oxidoreductases (MeSH), Pheromones (chemistry), Protein Structure, Secondary (MeSH), Proteins (chemistry), Surface Properties (MeSH), Time Factors (MeSH), Transcription Factors (MeSH), User-Computer Interface (MeSH).
- MESH :
- chemical , chemistry : Aprotinin, Glutathione, Homeodomain Proteins, Pheromones, Proteins.
- chemical : Antennapedia Homeodomain Protein, Glutaredoxins, Nuclear Proteins, Oxidoreductases, Transcription Factors.
- Computer Graphics, Computer Simulation, Magnetic Resonance Spectroscopy, Models, Molecular, Nucleic Acid Conformation, Protein Structure, Secondary, Surface Properties, Time Factors, User-Computer Interface.
Abstract
MOLMOL is a molecular graphics program for display, analysis, and manipulation of three-dimensional structures of biological macromolecules, with special emphasis on nuclear magnetic resonance (NMR) solution structures of proteins and nucleic acids. MOLMOL has a graphical user interface with menus, dialog boxes, and on-line help. The display possibilities include conventional presentation, as well as novel schematic drawings, with the option of combining different presentations in one view of a molecule. Covalent molecular structures can be modified by addition or removal of individual atoms and bonds, and three-dimensional structures can be manipulated by interactive rotation about individual bonds. Special efforts were made to allow for appropriate display and analysis of the sets of typically 20-40 conformers that are conventionally used to represent the result of an NMR structure determination, using functions for superimposing sets of conformers, calculation of root mean square distance (RMSD) values, identification of hydrogen bonds, checking and displaying violations of NMR constraints, and identification and listing of short distances between pairs of hydrogen atoms.
DOI: 10.1016/0263-7855(96)00009-4
PubMed: 8744573
Affiliations:
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Le document en format XML
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Wüthrich</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="1996">1996</date><idno type="RBID">pubmed:8744573</idno><idno type="pmid">8744573</idno><idno type="doi">10.1016/0263-7855(96)00009-4</idno><idno type="wicri:Area/Main/Corpus">001204</idno><idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Corpus" wicri:corpus="PubMed">001204</idno><idno type="wicri:Area/Main/Curation">001204</idno><idno type="wicri:explorRef" wicri:stream="Main" wicri:step="Curation">001204</idno><idno type="wicri:Area/Main/Exploration">001204</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">MOLMOL: a program for display and analysis of macromolecular structures.</title><author><name sortKey="Koradi, R" sort="Koradi, R" uniqKey="Koradi R" first="R" last="Koradi">R. Koradi</name><affiliation wicri:level="1"><nlm:affiliation>Institut für Molekularbiologie und Biophysik, Eidgenössische Technische Hochschule-Hönggerberg, Zurich, Switzerland.</nlm:affiliation><country xml:lang="fr">Suisse</country><wicri:regionArea>Institut für Molekularbiologie und Biophysik, Eidgenössische Technische Hochschule-Hönggerberg, Zurich</wicri:regionArea><wicri:noRegion>Zurich</wicri:noRegion></affiliation></author><author><name sortKey="Billeter, M" sort="Billeter, M" uniqKey="Billeter M" first="M" last="Billeter">M. Billeter</name></author><author><name sortKey="Wuthrich, K" sort="Wuthrich, K" uniqKey="Wuthrich K" first="K" last="Wüthrich">K. Wüthrich</name></author></analytic><series><title level="j">Journal of molecular graphics</title><idno type="ISSN">0263-7855</idno><imprint><date when="1996" type="published">1996</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Antennapedia Homeodomain Protein (MeSH)</term><term>Aprotinin (chemistry)</term><term>Computer Graphics (MeSH)</term><term>Computer Simulation (MeSH)</term><term>Glutaredoxins (MeSH)</term><term>Glutathione (chemistry)</term><term>Homeodomain Proteins (chemistry)</term><term>Magnetic Resonance Spectroscopy (MeSH)</term><term>Models, Molecular (MeSH)</term><term>Nuclear Proteins (MeSH)</term><term>Nucleic Acid Conformation (MeSH)</term><term>Oxidoreductases (MeSH)</term><term>Pheromones (chemistry)</term><term>Protein Structure, Secondary (MeSH)</term><term>Proteins (chemistry)</term><term>Surface Properties (MeSH)</term><term>Time Factors (MeSH)</term><term>Transcription Factors (MeSH)</term><term>User-Computer Interface (MeSH)</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Aprotinine (composition chimique)</term><term>Conformation d'acide nucléique (MeSH)</term><term>Facteurs de transcription (MeSH)</term><term>Facteurs temps (MeSH)</term><term>Glutarédoxines (MeSH)</term><term>Glutathion (composition chimique)</term><term>Infographie (MeSH)</term><term>Interface utilisateur (MeSH)</term><term>Modèles moléculaires (MeSH)</term><term>Oxidoreductases (MeSH)</term><term>Phéromones (composition chimique)</term><term>Propriétés de surface (MeSH)</term><term>Protéine antennapedia (MeSH)</term><term>Protéines (composition chimique)</term><term>Protéines nucléaires (MeSH)</term><term>Protéines à homéodomaine (composition chimique)</term><term>Simulation numérique (MeSH)</term><term>Spectroscopie par résonance magnétique (MeSH)</term><term>Structure secondaire des protéines (MeSH)</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Aprotinin</term><term>Glutathione</term><term>Homeodomain Proteins</term><term>Pheromones</term><term>Proteins</term></keywords><keywords scheme="MESH" type="chemical" xml:lang="en"><term>Antennapedia Homeodomain Protein</term><term>Glutaredoxins</term><term>Nuclear Proteins</term><term>Oxidoreductases</term><term>Transcription Factors</term></keywords><keywords scheme="MESH" qualifier="composition chimique" xml:lang="fr"><term>Aprotinine</term><term>Glutathion</term><term>Phéromones</term><term>Protéines</term><term>Protéines à homéodomaine</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Computer Graphics</term><term>Computer Simulation</term><term>Magnetic Resonance Spectroscopy</term><term>Models, Molecular</term><term>Nucleic Acid Conformation</term><term>Protein Structure, Secondary</term><term>Surface Properties</term><term>Time Factors</term><term>User-Computer Interface</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Conformation d'acide nucléique</term><term>Facteurs de transcription</term><term>Facteurs temps</term><term>Glutarédoxines</term><term>Infographie</term><term>Interface utilisateur</term><term>Modèles moléculaires</term><term>Oxidoreductases</term><term>Propriétés de surface</term><term>Protéine antennapedia</term><term>Protéines nucléaires</term><term>Simulation numérique</term><term>Spectroscopie par résonance magnétique</term><term>Structure secondaire des protéines</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">MOLMOL is a molecular graphics program for display, analysis, and manipulation of three-dimensional structures of biological macromolecules, with special emphasis on nuclear magnetic resonance (NMR) solution structures of proteins and nucleic acids. MOLMOL has a graphical user interface with menus, dialog boxes, and on-line help. The display possibilities include conventional presentation, as well as novel schematic drawings, with the option of combining different presentations in one view of a molecule. Covalent molecular structures can be modified by addition or removal of individual atoms and bonds, and three-dimensional structures can be manipulated by interactive rotation about individual bonds. Special efforts were made to allow for appropriate display and analysis of the sets of typically 20-40 conformers that are conventionally used to represent the result of an NMR structure determination, using functions for superimposing sets of conformers, calculation of root mean square distance (RMSD) values, identification of hydrogen bonds, checking and displaying violations of NMR constraints, and identification and listing of short distances between pairs of hydrogen atoms.</div></front></TEI><pubmed><MedlineCitation Status="MEDLINE" Owner="NLM"><PMID Version="1">8744573</PMID><DateCompleted><Year>1996</Year><Month>12</Month><Day>04</Day></DateCompleted><DateRevised><Year>2019</Year><Month>11</Month><Day>01</Day></DateRevised><Article PubModel="Print"><Journal><ISSN IssnType="Print">0263-7855</ISSN><JournalIssue CitedMedium="Print"><Volume>14</Volume><Issue>1</Issue><PubDate><Year>1996</Year><Month>Feb</Month></PubDate></JournalIssue><Title>Journal of molecular graphics</Title><ISOAbbreviation>J Mol Graph</ISOAbbreviation></Journal><ArticleTitle>MOLMOL: a program for display and analysis of macromolecular structures.</ArticleTitle><Pagination><MedlinePgn>51-5, 29-32</MedlinePgn></Pagination><Abstract><AbstractText>MOLMOL is a molecular graphics program for display, analysis, and manipulation of three-dimensional structures of biological macromolecules, with special emphasis on nuclear magnetic resonance (NMR) solution structures of proteins and nucleic acids. MOLMOL has a graphical user interface with menus, dialog boxes, and on-line help. The display possibilities include conventional presentation, as well as novel schematic drawings, with the option of combining different presentations in one view of a molecule. Covalent molecular structures can be modified by addition or removal of individual atoms and bonds, and three-dimensional structures can be manipulated by interactive rotation about individual bonds. Special efforts were made to allow for appropriate display and analysis of the sets of typically 20-40 conformers that are conventionally used to represent the result of an NMR structure determination, using functions for superimposing sets of conformers, calculation of root mean square distance (RMSD) values, identification of hydrogen bonds, checking and displaying violations of NMR constraints, and identification and listing of short distances between pairs of hydrogen atoms.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Koradi</LastName><ForeName>R</ForeName><Initials>R</Initials><AffiliationInfo><Affiliation>Institut für Molekularbiologie und Biophysik, Eidgenössische Technische Hochschule-Hönggerberg, Zurich, Switzerland.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Billeter</LastName><ForeName>M</ForeName><Initials>M</Initials></Author><Author ValidYN="Y"><LastName>Wüthrich</LastName><ForeName>K</ForeName><Initials>K</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType><PublicationType UI="D013485">Research Support, Non-U.S. Gov't</PublicationType></PublicationTypeList></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>J Mol Graph</MedlineTA><NlmUniqueID>9014762</NlmUniqueID><ISSNLinking>0263-7855</ISSNLinking></MedlineJournalInfo><ChemicalList><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D051943">Antennapedia Homeodomain Protein</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D054477">Glutaredoxins</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D018398">Homeodomain Proteins</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D009687">Nuclear Proteins</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D010675">Pheromones</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D011506">Proteins</NameOfSubstance></Chemical><Chemical><RegistryNumber>0</RegistryNumber><NameOfSubstance UI="D014157">Transcription Factors</NameOfSubstance></Chemical><Chemical><RegistryNumber>9087-70-1</RegistryNumber><NameOfSubstance UI="D007611">Aprotinin</NameOfSubstance></Chemical><Chemical><RegistryNumber>EC 1.-</RegistryNumber><NameOfSubstance UI="D010088">Oxidoreductases</NameOfSubstance></Chemical><Chemical><RegistryNumber>GAN16C9B8O</RegistryNumber><NameOfSubstance UI="D005978">Glutathione</NameOfSubstance></Chemical></ChemicalList><CitationSubset>IM</CitationSubset><MeshHeadingList><MeshHeading><DescriptorName UI="D051943" MajorTopicYN="N">Antennapedia Homeodomain Protein</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D007611" MajorTopicYN="N">Aprotinin</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D003196" MajorTopicYN="Y">Computer Graphics</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D003198" MajorTopicYN="Y">Computer Simulation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D054477" MajorTopicYN="N">Glutaredoxins</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D005978" MajorTopicYN="N">Glutathione</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D018398" MajorTopicYN="N">Homeodomain Proteins</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D009682" MajorTopicYN="N">Magnetic Resonance Spectroscopy</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D008958" MajorTopicYN="Y">Models, Molecular</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D009687" MajorTopicYN="Y">Nuclear Proteins</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D009690" MajorTopicYN="Y">Nucleic Acid Conformation</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D010088" MajorTopicYN="Y">Oxidoreductases</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D010675" MajorTopicYN="N">Pheromones</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="N">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D017433" MajorTopicYN="N">Protein Structure, Secondary</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D011506" MajorTopicYN="N">Proteins</DescriptorName><QualifierName UI="Q000737" MajorTopicYN="Y">chemistry</QualifierName></MeshHeading><MeshHeading><DescriptorName UI="D013499" MajorTopicYN="N">Surface Properties</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D013997" MajorTopicYN="N">Time Factors</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D014157" MajorTopicYN="Y">Transcription Factors</DescriptorName></MeshHeading><MeshHeading><DescriptorName UI="D014584" MajorTopicYN="N">User-Computer Interface</DescriptorName></MeshHeading></MeshHeadingList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="pubmed"><Year>1996</Year><Month>2</Month><Day>1</Day></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>1996</Year><Month>2</Month><Day>1</Day><Hour>0</Hour><Minute>1</Minute></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>1996</Year><Month>2</Month><Day>1</Day><Hour>0</Hour><Minute>0</Minute></PubMedPubDate></History><PublicationStatus>ppublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">8744573</ArticleId><ArticleId IdType="pii">0263785596000094</ArticleId><ArticleId IdType="doi">10.1016/0263-7855(96)00009-4</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>Suisse</li></country></list><tree><noCountry><name sortKey="Billeter, M" sort="Billeter, M" uniqKey="Billeter M" first="M" last="Billeter">M. Billeter</name><name sortKey="Wuthrich, K" sort="Wuthrich, K" uniqKey="Wuthrich K" first="K" last="Wüthrich">K. Wüthrich</name></noCountry><country name="Suisse"><noRegion><name sortKey="Koradi, R" sort="Koradi, R" uniqKey="Koradi R" first="R" last="Koradi">R. Koradi</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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