[phenixbb] phenix.phaser ep_sad mode
Bryan Lepore
bryanlepore at gmail.com
Wed Dec 8 09:56:18 PST 2010
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_and_SAD_Phasing
[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
-------------------------------------------------------------------------------------
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