pharmacophore typing and Electrostatic potentials

User 2db0d566ee

12-06-2014 15:42:17

I would like to know how can i get the plugin CA_Prop_Map2011 to obtain the pharmacophore typing and the Electrostatic potentials to use it in ISIDA Fragmentor.

ChemAxon e08c317633

13-06-2014 12:02:44

ISIDA Fragmentor is not a ChemAxon application. Find contact information of ISIDA Fragmentor developers here: http://infochim.u-strasbg.fr/spip.php?rubrique44

User 2db0d566ee

15-06-2014 06:06:32

Yes. But I want to obtain the pharmacophore and electrostatic potential mapping with the plugin CA_Prop_Map2011 of Chemaxon. I have academic license and i want to know how can I get this plugin.


 



ChemAxon d51151248d

16-06-2014 13:26:42

Hi sitoperez, 


You should look at our pharmacophore mapping tool documentation to find out more about pharmacophore analysis:


http://www.chemaxon.com/jchem/doc/user/PFp2D.html


Pharmacophore mapping is available as a pmapper command line tool:


http://www.chemaxon.com/jchem/doc/user/PMapper.html


Charge distribution of molecules can be generated using our Charge Plugin. Please find the documentation here:


http://www.chemaxon.com/marvin/help/calculations/chargegroup.html


I hope this helps. If you have more questions, please feel free to ask me.


Daniel 

User 2db0d566ee

17-06-2014 18:57:58

Ok Thanks.


I´ve tried these plugins, but these don´t generate the pharmacophore mapping in the format required by the ISIDA fragmentor application. For this reason, i need to get the plugin mentioned in previous messages.


 


 


 


 

ChemAxon d51151248d

18-06-2014 12:27:20

Dear sitoperez, 


only those plugins that we mentioned are ChemAxon plugins.For more information on the plugin you are looking for, get in touch with the corresponing developers.


Best regards, 


Daniel