[gmx-users] protein local density

[Dmitry Kovalsky]

Hi there,

Is there a way to calculate density of a protein packing somehow with GROMACS? 

For example, I define asome space within protein molecule using atoms from an 
index file and a program calculates volume and  atoms density of that space.

If GROMACS cann't who knows the program that can do this?

Thanks in advance

-- 
Sincerely yours,

Ph.D. Student Dmytro Kovalskyy
Institute of Molecular Biology & Genetics
150 Akad. Zabolotnogo Street,
Kiev-143, 03143
UKRAINE

E-mail: dikov at imbg.org.ua
Fax:  +380 (44) 266-0759
Tel.: +380 (44) 266-5589