I have no opinion on what should be written (such debates are a world of pain) but I tried to make csymlib accept anything.
I tried ncont (as an example of a C++ program) and contact (as an example of a Fortran program) and both seemed happy with such a CRYST1 line. CCP4 is pretty heterogenous, so I can well believe there may be exceptions. Could you give me a hint where the problems are? Cheers Martyn On Mon, 2009-12-14 at 17:04 +0000, Eleanor Dodson wrote: > hypFdemo_28.pdb: > CRYST1 58.351 58.351 155.876 90.00 90.00 120.00 R 3 2 :H 1 > > I dont hold a candle for either of these SGs but Phaser is now > outputting the R 3 2 :H and many many other CCP4 programs are then > falling over > > Can the symlib be modified to accept both? > Eleanor -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: [email protected] * * Fax: +44 1925 603825 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
