e
>
> > -Original Message-
> > From: CCP4 bulletin board On Behalf Of Dirk
> > Kostrewa
> > Sent: Tuesday, August 31, 2021 10:24
> > To: CCP4BB@JISCMAIL.AC.UK
> > Subject: Re: [ccp4bb] Some questions on tools for CCP4i2cloud: pdbset,
> > pdbcu
@JISCMAIL.AC.UK
> Subject: Re: [ccp4bb] Some questions on tools for CCP4i2cloud: pdbset,
> pdbcur, coordconv, sftools
>
> Dear Robbie,
>
> I use pdbset in scripts from time to time, mainly to generate symmetry
> equivalent copies. I use sftools on the command line more freq
Dear Robbie,
I use pdbset in scripts from time to time, mainly to generate symmetry
equivalent copies. I use sftools on the command line more frequently,
because it allows a lot of mathematical operations on data in mtz files.
I also use sftools to produce lists of average data values against
Hi Robbie
I also use them quite regularly (less so coordconv, although I do use it),
typically from the command line
Thanks, Alejandro
> On Aug 30, 2021, at 17:38, James Holton wrote:
>
> I use pdbset, coordconv and sftools a LOT. Usually for things no other
> programs do, like converting t
I use pdbset, coordconv and sftools a LOT. Usually for things no other
programs do, like converting to fractional coordinates, and performing
math operations on mtz data. Always from command line scripts.
-James Holton
MAD Scientist
On 8/26/2021 3:29 AM, Robbie Joosten wrote:
Dear CCP4 users
Dear Robbie,
I don't use ccp4 regularly (since our structures are mainly small
molecule structures), but when I do, I often use pdbset. I use it to
remove het-atoms, or side chains, or water molecules, or reset the
B-value.
I also use sftools. I have a script for calculating Rcomplete with
refmac
Dear CCP4 users,
We (as in, the CCP4 developers) are investigating some (potentially) missing
functionality in CCP4i2 and/or Cloud with respect to the programs pdbset,
pdbcur, coordconv, and sftools. Some of these tools are quite old and may need
to be replaced by other tools with similar funct
