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Does there exist any data repository of chemical compound that gives the structure of the compounds with the help of coordinate geometry. It would be like each atom has a coordinate and the list of bonds it has with other atoms so that the 3D structure of the compound can be created from this very theoretical description?
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(Original post by jayjayfucopil)
Does there exist any data repository of chemical compound that gives the structure of the compounds with the help of coordinate geometry. It would be like each atom has a coordinate and the list of bonds it has with other atoms so that the 3D structure of the compound can be created from this very theoretical description?
Does there exist any data repository of chemical compound that gives the structure of the compounds with the help of coordinate geometry. It would be like each atom has a coordinate and the list of bonds it has with other atoms so that the 3D structure of the compound can be created from this very theoretical description?
http://www.chemspider.com
You can search for a compound name etc and pull up assored chemical and physics properties. The "structure" option can up a 3D view of the molecule, and you can download a .mol file that has detailed structural information in a plane text format.
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(Original post by Mr Wednesday)
Try the following ...
http://www.chemspider.com
You can search for a compound name etc and pull up assored chemical and physics properties. The "structure" option can up a 3D view of the molecule, and you can download a .mol file that has detailed structural information in a plane text format.
Try the following ...
http://www.chemspider.com
You can search for a compound name etc and pull up assored chemical and physics properties. The "structure" option can up a 3D view of the molecule, and you can download a .mol file that has detailed structural information in a plane text format.
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