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Anomalous differences can be tricky. A script to detwin anomalous data, described on this list, first separated I+ and I- into two files before attempting detwinning, then brought everything back together to calculate differences. In the intermediate step where the detwinning occurs, it is possible to lose track of the hand. A safer procedure is to use the detwin programs option to detwin anomalous data (which may not have been available when the script was written). Pete -----Original Message----- From: [EMAIL PROTECTED] on behalf of [EMAIL PROTECTED] Sent: Sat 12/23/2006 3:01 PM To: [EMAIL PROTECTED]; [email protected] Subject: Re: [ccp4bb]: Retraction of ABC transporter structures - were there warning signs? 6. Yes, if you use 'homemade' programs, they need to be thoroughly tested and the test(s) probably need to be published for review. I personally do not like to use programs that have not passed such a test (or worse, to use programs that HAVE passed the test, but were subsequently 'amended' by someone else). I don't think this is what happened here, but there are some pretty good examples out there where such things did happen.
