[ccp4bb] FW: [ccp4bb] 2mhb

2008-06-20 Thread Bernhard Rupp
lt of correlated split protein-water network conformations are NO ERROR, dear checkers. -Original Message- From: Miller, Mitchell D. [mailto:[EMAIL PROTECTED] Sent: Friday, June 20, 2008 2:43 PM To: [EMAIL PROTECTED] Cc: [EMAIL PROTECTED] Subject: RE: [ccp4bb] 2mhb Hi Bernhard, Yo

Re: [ccp4bb] 2mhb

2008-06-20 Thread Santarsiero, Bernard D.
Bernhard, It's complicated. The last two columns are related to atomic Z number and group occupancy. They used a different equation than the typical Debye-Waller equation to calculate a sort of B-factor and get the electron density maps. Bernie Santarsiero On Fri, June 20, 2008 4:05 pm, Bernhar

[ccp4bb] 2mhb

2008-06-20 Thread Bernhard Rupp
Dear All - can someone please explain to me the last 2 dat items in the 2mhb ATOM recs? Looks like X Y Z followed by B and ?? Is this some historic legacy (1977) or another remediation incident? Obviousy this is not the standard format it purports to be in, but there might be good reasons. No acc