[phenixbb] phenix.phaser ep_sad mode

[Bryan Lepore]

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
-------------------------------------------------------------------------------------