Chem3D Net Plugin as a Web-based Molecular viewer
I have just noticed that CambridgeSoft have released Chem3D Net plugin. It supports many types of chemical MIME type files, and the display allows various interesting features not supported by other software, ie the ability to measure geometries. It also reads Gaussian checkpoint files, and allows surface rendering etc. Both Mac and PC versions appear available. Chem3D Net does not however appear to support Rasmol/CSML scripts, and thus all those nifty buttons to highlite functional groups etc that some people have authored to work with eg Chime will not work. It appears to be compatible at the HTML level with eg Chime. Invoke http://www.camsoft.com/plugins/ and click on "Free downloads" Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
Hello, An additional note about the Chem3D plugin - if you buy the full version you have the capability of passing SMILES strings representing molecular formulas back to a CGI script on your server. (this version of the plugin comes with the latest version of ChemOffice) I've done a very limited amount of playing with this and have a sample problem that asks students to draw a structure and checks to see if their input is correct (www.cem.msu.edu/~parrill/chemdraw/chemdrawtest.html). Unfortunately this capability is not available in the free version of the plugin. Regards, Abby __________________________________________________________ Abby Parrill, Ph.D. Chemistry Department Michigan State University East Lansing, MI 48824-1322 parrill@argus.cem.msu.edu __________________________________________________________ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
I have just noticed that CambridgeSoft have released Chem3D Net plugin. It supports many types of chemical MIME type files, and the display allows various interesting features not supported by other software, ie the ability to measure geometries. It also reads Gaussian checkpoint files, and allows surface rendering etc. Both Mac and PC versions appear available. Chem3D Net does not however appear to support Rasmol/CSML scripts, and thus all those nifty buttons to highlite functional groups etc that some people have authored to work with eg Chime will not work.
It appears to be compatible at the HTML level with eg Chime.
Invoke http://www.camsoft.com/plugins/ and click on "Free downloads"
Henry highlights a problem that I shall mention in my postponed virtual lecture (http://chemweb.vei.co.uk/) which uses the Chem3D plug-ins. Indeed the various plug-in versions do work on both Macs and PCs, very well in fact. Perhaps someone better at JavaScript than me could write a utility script to send back different documents according to which plug-in actually is installed? Dr Mark J Winter (Director of Studies) Department of Chemistry, The University, Sheffield S3 7HF, England tel: +44 (0)114 222 9304 fax: +44 (0)114 222 9303 e-m: mark.winter@sheffield.ac.uk http://www.shef.ac.uk/chemistry/staff/mjw/mark-winter.html WebElements is the periodic table on the world-wide web: http://www.shef.ac.uk/chemistry/web-elements/ The Sheffield Chemdex is a listing of chemistry sites on the world-wide web: http://www.shef.ac.uk/chemistry/chemdex/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
Hi, A challenge for you. 10 days are remaining for the ab initio crystal structure determination of the 2 samples below before the SDPD Round Robin deadline : http://fluo.univ-lemans.fr:8001/SDPDRR/ Sample 1 [Co(NH3)5CO3]NO3.H2O (guessing the shape of structure fragments is possible) Crystal system: monoclinic Cell : a = 7.673A, b = 9.628 A, c = 7.077 A, beta = 106.28° Space groups : P21/m or P21 Sample 2 C22H24N2O8.HCl (the molecular formula can be found easily) Crystal system: orthorhombic Cell : a = 10.981 A, b = 12.853 A, c = 15.733 A, Space group : P212121 Best wishes, Armel Le Bail - Laboratoire des Fluorures, CNRS ESA 6010 Universite du Maine, Av. O. Messiaen, 72085 Le Mans cedex 9, France http://fluo.univ-lemans.fr:8001/ http://www.cybercable.tm.fr/~cristal/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)
participants (4)
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                Abby L. Parrill
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                Armel Le Bail
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                Mark Winter
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                Rzepa, Henry