Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Ed
Pozharski
Sent: Monday, January 02, 2012 7:45 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refmac and metal on a two-fold?
On Sun, 2012-01-01 at 12:14 -0600, Dima Klenchin wrote:
With Garib's help, I have
-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Ed
Pozharski
Sent: Monday, January 02, 2012 7:45 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refmac and metal on a two-fold?
On Sun, 2012-01-01 at 12:14 -0600, Dima Klenchin wrote:
With Garib's help, I have
with refmac.
Best regards,
Herman
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
George M. Sheldrick
Sent: Monday, January 02, 2012 1:22 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Refmac and metal on a two-fold?
I am surprised
I've seen this happening to water molecules as well (in a somewhat
unpredictable fashion). In the latest refmac versions, you can try
harmonic restraints, although these will only slow down the atom drift,
as the target position is updated every cycle.
Perhaps you can use distance restraints
I've seen this happening to water molecules as well (in a somewhat
unpredictable fashion). In the latest refmac versions, you can try
harmonic restraints, although these will only slow down the atom drift,
as the target position is updated every cycle.
Perhaps you can use distance restraints
Good to know, thanks. I was actually wondering about this recently.
On Sun, Jan 1, 2012 at 1:14 PM, Dima Klenchin klenc...@facstaff.wisc.eduwrote:
I've seen this happening to water molecules as well (in a somewhat
unpredictable fashion). In the latest refmac versions, you can try
harmonic
On Sun, 2012-01-01 at 12:14 -0600, Dima Klenchin wrote:
With Garib's help, I have forced the atom into its position by using
external distance restrains of zero length against the same
symmetry-related atom. The cause is unclear because the same program
handles special positions in another
Hello,
I have a metal ion sitting on a two-fold. I assigned it an occupancy of 0.5
but Refmac keeps refining it away from that position so that in the end
there is a symmetry-related ion 1.6A away. I thought that this problem has
been rectified long ago? Certainly I had several occasions
