Re: [ccp4bb] Spooky, moving crystals

2008-07-21 Thread Rizkallah, PJ (Pierre)
Hi Mark, Cryocooled loops stored in tubes inside dewars do flex a little when the loops are put on the goniometer. This is natural, as in the dewar, the whole pin was in liquid nitrogen, but on the goniometer, it is only the loop that is in the cryo stream. Having said that, the degree of movem

Re: [ccp4bb] alternating strong/weak intensities in reciprocal planes - P622

2007-08-27 Thread Rizkallah, PJ (Pierre)
Hi Jorge, I imagine your 222 tetramer makes a sort of 'pancake' which fits into a cell of 229x229x36 when you apply the 6-fold symmetry. If that was the case in the crystal, then these would be the cell dimensions that you would get. But I suspect you have a situation where the cell repeat has a

Re: [ccp4bb] Surface complementarity

2007-08-07 Thread Rizkallah, PJ (Pierre)
Hi Rosemary, The SC manual URL http://www.ccp4.ac.uk/dist/html/sc.html does contain all the information you need, but I agree it takes some deciphering. The basic parameters are the selections of two 'molecules' whose interface you want to study. For that purpose, the script or line input is real

[ccp4bb] A different idea

2007-05-10 Thread Rizkallah, PJ (Pierre)
Dear Martyn et al., How about putting all the keywords of any program into its GUI, then the user can click on the ones he/she thinks are needed, to open up the subkeywords for editing. It might be a case of one horizontal bar for each and every keyword, and could quickly become tedious when progr