I use CCP4 mapmask to exted the map some Å beyond the asymmetric unit in order to see the density at crystal contacts
Dr. Matthias Barone AG Kuehne, Rational Drug Design Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Strasse 10 13125 Berlin Germany Phone: +49 (0)30 94793-284 ________________________________ From: CCP4 bulletin board <[email protected]> on behalf of Phil Evans <[email protected]> Sent: Friday, July 13, 2018 12:14:08 PM To: [email protected] Subject: Re: [ccp4bb] Creating map volume of custom size I think the CCP4 program map rot will do this Phil > On 13 Jul 2018, at 10:16, [email protected] > <[email protected]> wrote: > > Hello everyone, > > > I have a question about manipulating map files. > > > I want to use my map derived from X-ray diffraction and create a standard > volume for it, say 300A3. > > This is to be able to create slices of equal dimensions along all three > directions of the electron density stored in the map file. Currently my > slices differ in dimensions as the default volume is defined by the unit cell. > > > I don't think there is anything in the map tools from the X-ray field I know. > I had a play with Chimera and I think there is a tool in there to use some > form of reference cell created from coordinates. But I don't want to make use > of a coordinates file. > > > I just want to inflate my unit cell to a standard volume. > > > Any ideas would be very welcome. > > > Thanks > > > Melanie > > -- > This e-mail and any attachments may contain confidential, copyright and or > privileged material, and are for the use of the intended addressee only. If > you are not the intended addressee or an authorised recipient of the > addressee please notify us of receipt by returning the e-mail and do not use, > copy, retain, distribute or disclose the information in or attached to the > e-mail. > Any opinions expressed within this e-mail are those of the individual and not > necessarily of Diamond Light Source Ltd. > Diamond Light Source Ltd. cannot guarantee that this e-mail or any > attachments are free from viruses and we cannot accept liability for any > damage which you may sustain as a result of software viruses which may be > transmitted in or with the message. > Diamond Light Source Limited (company no. 4375679). Registered in England and > Wales with its registered office at Diamond House, Harwell Science and > Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom > > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
