Dear all,

I want to draw a figure that the number of desired molecules (probability density in attachment) could been counted as a function of the distance from the pore center (or pore surface).

I have once used the atomic coordinate parameters in the structure files of *.pdb or *.cif to calculate one by one by using  the Excell software, however, this method was highly time-consuming.

Is there a perl programme to conveniently obtain the loaction distribution in pores of materials?

.

Thank you.

Best Regards,

Kingfish