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 >> >> To unsubscribe from the CCP4BB list, click the following link: >> https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> > > -- > 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/ > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
