conversion of file formats

User 30ebce914a

28-12-2010 16:09:19

hi all,


i want to convert smiles and sdf notations to pdb files please let me know the way.i tried with smiles online translator but i did not get please let me know if any one has idea

ChemAxon 0a9e2a55e1

28-12-2010 19:06:05

Hi,


If You want to convert one or only a few molecules, You can use any one of our applet examples


http://www.chemaxon.com/marvin/examples/applets/sketch/embed.html


Just paste the smiles and sdf You want to convert, and open the Edit/Sorce menu, then in the View menu select PDB.


If you want to convert more molecules, please intall our MarvinBeans application


http://www.chemaxon.com/download/marvin/for-end-users/


Then use the command line molconvert program, to convert Your file containg the smiles or sdf:


molconvert pdb input_file_name


More information about molconvert tool, and the available options:


http://www.chemaxon.com/marvin/help/applications/molconvert.html


Best regards,


Peter