Re: [ccp4bb] negative difference density in protein interiors

2009-05-08 Thread Clemens Vonrhein
Dear Laurie, On Thu, May 07, 2009 at 04:29:40PM -0400, Laurie Betts wrote: > Specifically, hemoglobin, in original PHASER (unrefined) solution DELFWT > an continuing to show up in refined > DELFWT coefficients. But I have seen it in other cases too. > > What does it mean? It tells you to 'take

[ccp4bb] Another pointless question

2009-05-08 Thread Ethan Merritt
I was very surprised recently when a run of pointless chose to transform my data into spacegroup I2 [*]. Here are excerpts from the output log: Selecting space group I 1 2 1 as there is a single space group with the highest score Space group confidence (= Sqrt(Score * (Score - Ne

Re: [ccp4bb] Another pointless question

2009-05-08 Thread Phil Evans
I2 is always an alternative setting to C2, & Pointless (by default) will choose this (since 1.2.12 I think) if it gives a smaller beta angle than the C2 setting I am assured that this is the IUCr approved "standard", along with always setting primitive orthorhombic space groups with a < b <

[ccp4bb] Find water in coot

2009-05-08 Thread Raja Dey
Hi, Is there any "Find Water..." button in the "MOdel/Fit/Refine" window in coot? I did not find it in version 0.6-pre. Raja Now surf faster and smarter ! Check out the new Firefox 3 - Yahoo! Edition http://downloads.yahoo.com/in/firefox/?fr=om_email_firefox

Re: [ccp4bb] Find water in coot

2009-05-08 Thread Joe
It should be under "Calculate > Other modeling tools > Find waters" Joe Raja Dey wrote: Hi,     Is there any "Find Water..." button in the "MOdel/Fit/Refine" window in coot? I did not find it in version 0.6-pre.         Raja  Explore your hobbies and interests. Click

Re: [ccp4bb] Find water in coot

2009-05-08 Thread Raja Dey
Thanks. In the tutorial it says the Find Water option is under Model/Fit/Refine, but actually is not. Raja From: Joe To: Raja Dey Cc: CCP4BB@JISCMAIL.AC.UK; Joe Sent: Friday, 8 May, 2009 12:52:48 PM Subject: Re: [ccp4bb] Find water in coot It should be unde