And the little jiffy program you want Phil is calc-ax (Version 951120) by Joachim Meyer, University of Freiburg, Germany, which takes an RT mtx (in OMAT format), and gives back all kinds of useful info.
A google search didn't turn this program up on the web, or Dr. Meyer; original & my slightly modified code attached, & binary for linux. Dave David Borhani, Ph.D. D. E. Shaw Research, LLC 120 West Forty-Fifth Street, 39th Floor New York, NY 10036 [EMAIL PROTECTED] 212-478-0698 http://www.deshawresearch.com > -----Original Message----- > From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On > Behalf Of Ian Tickle > Sent: Tuesday, July 29, 2008 5:18 AM > To: [email protected] > Subject: Re: [ccp4bb] Rotation axis > > Hi Phil > > The rotation axis is the locus of points which the > transformation leaves > unmoved, i.e. the eigenvector of the transformation matrix which has a > unit eigenvalue. So writing the transformation in > homogeneous form for > convenience: x' = Sx you need to solve x' = x, or Sx = x, either > analytically or just plug the matrix S into a canned eigenvector > routine. > > Cheers > > -- Ian > > > -----Original Message----- > > From: [EMAIL PROTECTED] > > [mailto:[EMAIL PROTECTED] On Behalf Of Phil Evans > > Sent: 29 July 2008 09:11 > > To: [email protected] > > Subject: Rotation axis > > > > If I've go a superposition transformation (x' = Rx + t), as > > it happens > > from a superposition in ccp4mg, how do I get the position & > > direction > > of the rotation axis (to draw in a picture)? > > I know that any (orthonormal) transformation can be > represented as a > > rotation about an axis + a screw translation along that axis > > > > I'm sure I've done this before ... > > > > thanks > > Phil > > > > > > > Disclaimer > This communication is confidential and may contain privileged > information intended solely for the named addressee(s). It > may not be used or disclosed except for the purpose for which > it has been sent. If you are not the intended recipient you > must not review, use, disclose, copy, distribute or take any > action in reliance upon it. If you have received this > communication in error, please notify Astex Therapeutics Ltd > by emailing [EMAIL PROTECTED] and destroy all > copies of the message and any attached documents. > Astex Therapeutics Ltd monitors, controls and protects all > its messaging traffic in compliance with its corporate email > policy. The Company accepts no liability or responsibility > for any onward transmission or use of emails and attachments > having left the Astex Therapeutics domain. Unless expressly > stated, opinions in this message are those of the individual > sender and not of Astex Therapeutics Ltd. The recipient > should check this email and any attachments for the presence > of computer viruses. Astex Therapeutics Ltd accepts no > liability for damage caused by any virus transmitted by this > email. E-mail is susceptible to data corruption, > interception, unauthorized amendment, and tampering, Astex > Therapeutics Ltd only send and receive e-mails on the basis > that the Company is not liable for any such alteration or any > consequences thereof. > Astex Therapeutics Ltd., Registered in England at 436 > Cambridge Science Park, Cambridge CB4 0QA under number 3751674 >
calc-ax.tgz
Description: calc-ax.tgz
