mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code
| dc.contributor.author | Brefo-Mensah, Eric K. | |
| dc.contributor.author | Palmer, Michael | |
| dc.date.accessioned | 2017-04-19 18:00:01 (GMT) | |
| dc.date.available | 2017-04-19 18:00:01 (GMT) | |
| dc.date.issued | 2012-10-02 | |
| dc.identifier.uri | https://doi.org/10.1186/1758-2946-4-24 | |
| dc.identifier.uri | http://hdl.handle.net/10012/11681 | |
| dc.description | © 2012 Brefo-Mensah and Palmer; licensee Chemistry Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Brefo-Mensah, E. K., & Palmer, M. (2012). mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code. Journal of Cheminformatics, 4(1), 24. https://doi.org/10.1186/1758-2946-4-24 | en |
| dc.description.abstract | Displaying chemical structures in LATE X documents currently requires either hand-coding of the structures using one of several LATE X packages, or the inclusion of finished graphics files produced with an external drawing program. There is currently no software tool available to render the large number of structures available in molfile or SMILES format to LATE X source code. We here present mol2chemfig, a Python program that provides this capability. Its output is written in the syntax defined by the chemfig TE X package, which allows for the flexible and concise description of chemical structures and reaction mechanisms. The program is freely available both through a web interface and for local installation on the user’s computer. | en |
| dc.language.iso | en | en |
| dc.publisher | Springer | en |
| dc.relation.uri | http://chimpsky.uwaterloo.ca/mol2chemfig | en |
| dc.rights | Attribution 2.0 Generic | * |
| dc.rights.uri | https://creativecommons.org/licenses/by/2.0/ | * |
| dc.subject | Molfile | en |
| dc.subject | SMILES | en |
| dc.subject | Molecular structures | en |
| dc.subject | Code generation | en |
| dc.subject | Late X chemfig | en |
| dc.title | mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code | en |
| dc.type | Article | en |
| dcterms.bibliographicCitation | Brefo-Mensah, E. K., & Palmer, M. (2012). mol2chemfig, a tool for rendering chemical structures from molfile or SMILES format to LATE X code. Journal of Cheminformatics, 4(1), 24. https://doi.org/10.1186/1758-2946-4-24 | en |
| uws.contributor.affiliation1 | Faculty of Science | en |
| uws.contributor.affiliation2 | Chemistry | en |
| uws.typeOfResource | Text | en |
| uws.peerReviewStatus | Reviewed | en |
| uws.scholarLevel | Faculty | en |
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