Dear Jon, Thanks for your reply.
The matrix format in the "REMARK 290" section of the pdb file (download from rcsb.org) is : r11 r12 r13 tx r21 r22 r23 ty r31 r32 r33 tz And I want to extract the matrix information from the pdb file "REMARK 290" section and use the matrix in the pdbset. so I have to convert the matrix from r11 r12 r13 tx r21 r22 r23 ty r31 r32 r33 tz to r11 r12 r13 r21 r22 r23 r31 r32 r33 tx ty tz. How can I do it? Thanks. Qixu Cai Qixu Cai Email: caiq...@gmail.com School of Life Sciences, Xiamen University, Fujian, China 2013/2/25 Jon Agirre <jon.agi...@gmail.com> > Dear Qixu, > > here's an excerpt from the pdbset manual: > > TRANSFORM [INVERT] [FRACTIONAL] r11 r12 r13 r21 r22 r23 r31 r32 r33 tx ty > tz > > I'm not sure what you mean by "covert from the "pdb file format" to > the "pdbset format"". Please elaborate on this. > > Jon > > 2013/2/25 Qixu Cai <caiq...@gmail.com>: > > Dear all, > > > > The matrix formats in different program always confuse me. > > > > The matrix format of the "REMARK 290 SMTRY" section of pdb file is: > > > > r11 r12 r13 tx > > r21 r22 r23 ty > > r31 r32 r33 tz > > > > What's the matrix format accepted by the "transform file" keywords of the > > pdbset program? > > is it "r11 r12 r13 r21 r22 r23 r31 r32 r33 tx ty tz"? > > And how to covert from the "pdb file format" to the "pdbset format"? > > > > What's the matrix format of "apply NCS operators" in phenix GUI? > > > > Thanks a lot! > > > > Qixu Cai > > > > -- > Jon Agirre, PhD > Unit of Biophysics (CSIC-UPV/EHU) > http://sourceforge.net/projects/projectrecon/ > +34656756888 >
