need some help

User fadea75641

26-09-2013 03:45:03

I use the online tool to calculate the Hydrogen acceptor count,Hydrogen donor count,Polarizability (2D),polar surface area,Van der Waals surface area.but  i  want to analyse  them as follow :




but  i just calculate the  maltose . the others can not be calculated. i will give you their pdb files.

thank you !

ChemAxon d51151248d

30-09-2013 11:06:29

Dear fenywei,

Unfortunately we didn't manage to reproduce the errors with the PDB files that you'd sent us.

It seems that the imported structures are invalid, and that causes the calculators to fail.

Could you send us your structures in MOL or SDF format ?

You can also use Name Import functionality in MarvinSketch to import the structures and then calculate the desired properties.

Best regards,