MM/QM Input generator or Output reader

User f7fd3e897c

10-12-2012 08:32:25

Please let me know if there any option to generate respective input files for MM/QM open source softwares, may be GAMESS, TINKER, MOPAC, NAMD.


And also any plans to include the ability to read the respective out files for analysis purpose atleast the viewer version of CXN.


Thanks,


Giri

ChemAxon 25dcd765a3

13-12-2012 13:45:51

Hi Giri,


Tha available file formats are listed here:


http://www.chemaxon.com/marvin/help/formats/formats.html


The mentioned file formats are not yet supported, however this does not mean that you can never use these file formats in Chemaxon tools. To implement these file formats curently has low priority, but you can implement the file format importer by yourself. It is documented with code examples here:  https://www.chemaxon.com/marvin/help/developer/io/own_format.html#creating_your_own_format 


I hope the documentation going to be helpful.


regards


Andras