From: Gianfranco Abrusci (
Date: Mon Sep 16 2019 - 12:37:00 CDT

Did you try "exwithin" like in "qwikmd_hetero exwithin 5 of protein"? As
far as I know it should not include the selection after "within". Moreover,
I think that "qwikmd_hetero within 5 of protein and not protein" is read as
"qwikmd_hetero within 5 of (protein and not protein)", and in parenthesis
the set is empty.


Il giorno lun 16 set 2019 alle ore 18:09 Ashma Khan <>
ha scritto:

> By flag "and not protein" it show nothing
> On Mon, Sep 16, 2019, 3:47 PM Ashma Khan <> wrote:
>> Dear Sir,
>> I want to calculate the osmolyte molecules at certain distance from the
>> protein surface. So, I use qwikmd_hetero within 5 of protein, but I get
>> osmolyte molecules as well as some protein molecules also in every
>> frames.Please provide me suitable solution for calculating only osmolyte
>> molecules

Gianfranco Abrusci