[phenixbb] Reduce NQH

[jp d]

hi,
we have no chains defined
that column is empty for all atoms


thanks
jpd



________________________________
 From: Pavel Afonine <pafonine at lbl.gov>
To: phenixbb at phenix-online.org 
Sent: Thursday, December 19, 2013 4:39 PM
Subject: Re: [phenixbb] Reduce NQH
 


Hello,

do you have two-letter chain IDs in PDB file?

Pavel


On 12/19/13, 4:33 PM, jp d wrote:

hi,
>we were going through the logs recently and see something
            odd during Reduce N/Q/H analysis
>the log file looks like this:
>================================== NQH flips
            ==================================
>r_work=0.3047 r_free=0.3518
>Analyzing N/Q/H residues for possible flip corrections...
>segID AL01 renamed chain A for Reduce N/Q/H analysis
>segID AL02 renamed chain B for Reduce N/Q/H analysis
>...
>segID AL29 renamed chain Y for Reduce N/Q/H analysis
>segID AL30 renamed chain Z for Reduce N/Q/H analysis
>segID AL32 renamed chain a for Reduce N/Q/H analysis
>segID AL33 renamed chain a for Reduce N/Q/H analysis
>segID AL34 renamed chain b for Reduce N/Q/H analysis
>segID AL35 renamed chain b for Reduce N/Q/H analysis
>...
>segID BL28 renamed chain z for Reduce N/Q/H analysis
>segID BL31 renamed chain z for Reduce N/Q/H analysis
>segID BL13 renamed chain AA for Reduce N/Q/H analysis
>segID BL29 renamed chain AB for Reduce N/Q/H analysis
>...
>
>
>
>we noticed that the lower case chain letters start to duplicate themselves and are not unique to each segid.
>when it starts the two letter chain, everything seems unique
            again.
>forgive me if that is expected, it just seems kind of
            strange
>
>
>
>this was seen in mutlple log files and we are using version
>Version: 1.8.4
>Release tag: 1496
>if you need our files or more details, let me know
>
>
>thanks
>jpd
>
>
>
>_______________________________________________
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