Might I add yet another call for the reinstatement of arp_waters - a very useful program indeed. Steve
________________________________ From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Bernhard Rupp Sent: Tuesday, January 20, 2009 2:50 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Replacement for arp_waters? arp_waters is very useful for a variety of purposes. I would like to see it supported in future releases. Best, BR From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Roger Rowlett Sent: Tuesday, January 20, 2009 11:40 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Replacement for arp_waters? 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 Notice: This e-mail message, together with any attachments, contains information of Merck & Co., Inc. (One Merck Drive, Whitehouse Station, New Jersey, USA 08889), and/or its affiliates (which may be known outside the United States as Merck Frosst, Merck Sharp & Dohme or MSD and in Japan, as Banyu - direct contact information for affiliates is available at http://www.merck.com/contact/contacts.html) that may be confidential, proprietary copyrighted and/or legally privileged. It is intended solely for the use of the individual or entity named on this message. If you are not the intended recipient, and have received this message in error, please notify us immediately by reply e-mail and then delete it from your system.
