You can just set your default FreeR value to 1.
See the REFMAC gui etc..
Eleanor
Petra Lukacik wrote:
I have a mtz file (output from phenix AutoSol and AutoBuild) where the
FreeR flag for the test set has a value of 1 and and the working set
has value 0. This is opposite to the ccp4 default wh
You are absolutely right. Although the idea in my message was that if
you are in certain environment and do something in that environment then
it's kind of natural to expect the output features are related to that
environment. Example? I wouldn't be very frustrated if CNS refuses to
read in SHE
Hi,
The assumption is hard to understand. We are thankful to the community who
are developing the great programs (and teaching), and with limited
experience, I think it is good to have choices. So, thanks also to people
who provide such scripts.
If we have to convert file formats, then whats wron
Petra,
You do not need any conversion.
It is true that the default FreeR flag used by the two programs is
the opposite (1 or 0), but I when you run CNS/Phenix or Refmac you
can say specifically which flag you want to use.
You just have to say in your input file which flag you want to use.
No
Ha, I've been busted by the Phenix team !
To tell the truth I still want to explore the best building and
refinement options. ArpWarp vs Textal and Refmac versus phenix.refine
and just see what gives the best result. I have used phenix.refine
alreadyit is very good stuff indeed.
Many th
Hi,
Just to explaine: it is "assumed" that if you came from using phenix
AutoSol and AutoBuild then for refinement you use phenix.refine
(refinement program in PHENIX). phenix.refine uses 1 for TEST and 0 for
WORK (similar to CNS). It is not clear to me at all why you need to do
the swap.
P
Dear Petra,
the following shell script should do the job.
best wishes
James
#!/bin/bash
input=input.mtz
oldfreer=FREE
newfreer=NEWFREE
sftools <
mailto:[EMAIL PROTECTED] On Behalf Of Petra Lukacik
Sent: Thursday, September 27, 2007 12:03 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] FreeR flag value swap
I have a mtz file (output from phenix AutoSol and AutoBuild) where the
FreeR flag for the test set has a value of 1 and and the working se
I have a mtz file (output from phenix AutoSol and AutoBuild) where the
FreeR flag for the test set has a value of 1 and and the working set
has value 0. This is opposite to the ccp4 default where the FreeR set
used within refinement is flagged as 0. Is there a way to swap the two
around so tha
