Re: [ccp4bb] Replacement for arp_waters?

[Roger Rowlett]

I will second noting the loss of arp_waters in CCP4 6.1. I know there is a "find waters" option in Coot 0.5.2 under "Calculate...Other modeling tools", and perhaps this is adequate, but it doesn't seem to have as many options for fine-tuning as arp_waters did. Coot allows for finding waters above a certain sigma value; arp_waters allowed this option plus setting minimum and maximum hydrogen bonding distances between heavy atoms. At any rate, it was very handy to have this option for refmac for both Windows and Linux platforms, especially for teaching new users or undergraduates working in the CCP4i environment. I suppose I can always add ARP/WARP to CCP4i in the Linux environment, but that leave Windows users out in the cold. Just my 2 cents. Cheers, -- Roger S. Rowlett Professor Colgate University Presidential Scholar Department of Chemistry Colgate University 13 Oak Drive Hamilton, NY 13346 tel: (315)-228-7245 ofc: (315)-228-7395 fax: (315)-228-7935 email: rrowl...@mail.colgate.edu David J. Schuller wrote: I note that in CCP4 6.1.0, arp_waters has been deprecated. Is there a program in the suite which fills the role formerly filled by arp_waters, of automatically adding waters? Cheers, - ======================================================================= You can't possibly be a scientist if you mind people thinking that you're a fool. - Wonko the Sane ======================================================================= David J. Schuller modern man in a post-modern world MacCHESS, Cornell University schul...@cornell.edu