Dear Vincent and Harry,
Thank you for your information and suggestion!
Kemin
On 11/5/20, 3:44 AM, "CCP4 bulletin board on behalf of Harry Powell - CCP4BB"
<CCP4BB@JISCMAIL.AC.UK on behalf of
0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote:
Hi
If it’s just organic, use 18 Å^3 per non-hydrogen - e.g. glucose (C6H12O6)
occupies around 12*18 ~= 216Å^3. Atoms like S and P add a little more, but for
mental artihmetic and a quick estimate it doesn’t amount to a hill of beans.
H
> On 5 Nov 2020, at 09:25, vincent Chaptal <vincent.chap...@ibcp.fr> wrote:
>
> Dear Kemin,
>
> I use VOIDOO from Upsala.
>
> Best
> Vincent
>
> Le 04/11/2020 à 21:05, Tan, Kemin a écrit :
>> Dear all,
>>
>> Is there a way to calculate or estimate the volume of a small molecule
within CCP4 or with other programs?
>>
>> Thanks,
>>
>> Kemin
>>
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>
> --
> Vincent Chaptal, PhD
> Director of GdR APPICOM
> Drug Resistance and Membrane Proteins Lab
>
> MMSB -UMR5086
> 7 passage du Vercors
> 69007 LYON
> FRANCE
> +33 4 37 65 29 01
> http://www.appicom.cnrs.fr
> http://mmsb.cnrs.fr/en/
>
>
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