On Wed, Dec 8, 2010 at 9:56 AM, Bryan Lepore wrote:

i found an ep_sad script on the phaser wiki^[1] that works ok^[2] for old versions.

for the dev-601 phaser, i think it comes down to me not understanding this line :

LLGComplete CRYStal insulin COMPLETE ON SCATtering ELEMent S

i tried jumbling the commands/arguments around^[3], leading to syntax errors for each attempt (output excerpt below).

Did you try this: LLGC COMPLETE ON LLGC SCAT S etc. This is what the documentation recommends, and it's consistent with the Python API too. -Nat

When there are changes in syntax, it's hard to find all the places on the website that have to change. Looks like we missed one with that example script. Randy On 8 Dec 2010, at 17:56, Bryan Lepore wrote:

dev-601

i found an ep_sad script on the phaser wiki^[1] that works ok^[2] for old versions.

for the dev-601 phaser, i think it comes down to me not understanding this line :

LLGComplete CRYStal insulin COMPLETE ON SCATtering ELEMent S

i tried jumbling the commands/arguments around^[3], leading to syntax errors for each attempt (output excerpt below).

if this "should work", i'll gladly return to the manual - or is there something unusual between versions, am i missing something, etc....

-Bryan

[1]http://www.phaser.cimr.cam.ac.uk/index.php/Experimental_Phasing#Combined_MR_... [2] seem not to write ATOM records in the .pdb when sites are in fact found. [3]http://www.phaser.cimr.cam.ac.uk/index.php/Keywords#LLGCOMPLETE

output excerpt :

MODE EP_SAD TITLe sad phasing insulin with best AutoMR solution HKLIn truncate.mtz CRYStal insulin DATAset sad LABIn F+=F(+) SIG+=SIGF(+) F-=F(-) SIG-=SIGF(-) ! LLGComplete CRYStal insulin COMPLETE ON SCATtering ELEMent S LLGComplete CRYStal

<!--SUMMARY_END--> <B><FONT COLOR="#FF8800"> $TEXT:Warning: $$ Baubles Markup $$ ------------------------------------------------------------------------------------- SYNTAX ERROR: Use (optionally) COMPLETE TYPE SCATTERER ELEMENT CLUSTER SIGMA NCYC CLASH ANOM REAL MAPS or METHOD ------------------------------------------------------------------------------------- _______________________________________________ phenixbb mailing list [email protected] http://phenix-online.org/mailman/listinfo/phenixbb

------ Randy J. Read Department of Haematology, University of Cambridge Cambridge Institute for Medical Research Tel: + 44 1223 336500 Wellcome Trust/MRC Building Fax: + 44 1223 336827 Hills Road E-mail: [email protected] Cambridge CB2 0XY, U.K. www-structmed.cimr.cam.ac.uk