Re: [ccp4bb]: Refmac vs. cns

[Anastassis Perrakis <perrakis@nki.nl>]

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> REfmac Vs CNS.
> 
> Since Tasos started it all.

No, I didn't.
not this time anyway. ;-)

> While one can continue work on the relative merits of CNS vs REFMAC, I
> think I will focus on what I miss in ARPWARP/REFMAC. arp_warp is terrible
> at using NCS.  If you are working with multimeric proteins and at medium
> resolutions around 2.5 A, CNS - strict NCS works miracles.  While I can
> definitely use REFMAC to refine, dm to average, and manually build one
> model and generate the next etc.. would it not be great if arp_warp could
> do it. Few people will dispute that 4 fold averaging at 2.5 A produces
> better maps than no averaging at ~2.0A.  CNS, simulated annealing and
> water picking do an absoltely wonderful job with strict NCS.

I would disagree only partially. ARP/wAPR does not do a terrible
job with NCS. It does NOTHING with it, it just disregards it.

Otherwise you are right ! it would be great to do use NCS !
(As a reminder both me and Victor have vacancies in our labs ...!!!)

> Cheers! i am now taking Tasos advice and going out to drink...
> 

I will stay in and code the NCS then ... ;-)


		Tassos