Re: [ccp4bb] chiral volumes--2nd try

2010-04-20 Thread George M. Sheldrick
bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Patrick Loll Sent: Monday, April 19, 2010 2:40 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] chiral volumes--2nd try Sorry, the original post looks garbled (mirroring my internal state, no doubt). I'm trying again, sending

Re: [ccp4bb] chiral volumes--2nd try

2010-04-20 Thread Bernhard Rupp
Then you have to define what you mean by smallest. Correct. A little manual reading often goes along way :-) br

Re: [ccp4bb] chiral volumes--2nd try

2010-04-20 Thread George M. Sheldrick
bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of George M. Sheldrick Sent: Tuesday, April 20, 2010 12:17 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] chiral volumes--2nd try Berhard, Then you have to define what you mean by smallest. SHELXL uses the (ASCII

Re: [ccp4bb] chiral volumes--2nd try

2010-04-20 Thread George M. Sheldrick
For CB_ILE, the chiral volume sign in the REFMAC monomer library is the same as used by SHELXL, not the opposite as stated in my last posting. Apologies! George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel.

Re: [ccp4bb] chiral volumes--2nd try

2010-04-20 Thread Patrick Loll
Joel, Agh. I can honestly say that this explanation never occurred to me, even though it is consistent with the data (But come on, any introductory organic chem text explains the R/S rules by moving from atom 2 to 3 to 4, and not by jumping from 2 to 4...surely you would follow the

[ccp4bb] chiral volumes--2nd try

2010-04-19 Thread Patrick Loll
Sorry, the original post looks garbled (mirroring my internal state, no doubt). I'm trying again, sending as plain text: Friends, A question about the definition of chiral volumes: I'm looking for the definition of the SIGN of a chiral volume. The only ccp4 reference I can find (readily)

Re: [ccp4bb] chiral volumes--2nd try

2010-04-19 Thread Bernhard Rupp
- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Patrick Loll Sent: Monday, April 19, 2010 2:40 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] chiral volumes--2nd try Sorry, the original post looks garbled (mirroring my internal state, no doubt). I'm trying again, sending