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Hello Lei-- > I want to build an symmetric pentamer structure using one > monomer structure and inter-monomer NOEs. The secondary structure of > the monomer will be kept fixed. First, how can I keep the symmetry > during the refinement. Use the NCS potential for this purpose. There's an example of its use in eginput/mef_dna/sa_mef_dipo.inp If you have questions about how to incorporate this into a python script, please let me know. > Second, I am trying to use the 'group' > function in xplor. Are all the translation and rotation motions of > the grouped list allowed? Is there some way to control these motion > and allow motions along certain direction, such as translate along x > and rotate about z axis? All translations and rotations are allowed by default. You can specify translate-only or rotate-only motions, but this is probably not a good idea here - your distance restraints should take care of the problem here. best regards-- Charles -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.6 (GNU/Linux) Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/> iD8DBQFGLnRBPK2zrJwS/lYRAn9cAKCD5qN+aXQS2whI0K+inXJY+4APnQCfS0B2 5N5gRlx5XJonESmVFKTTWBk= =Xyvt -----END PGP SIGNATURE-----
