[gmx-users] protein local density

Dmitry Kovalsky dikov at imbg.org.ua
Mon Jan 10 15:40:20 CET 2005

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

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

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