[Objcryst-foxx] Fox 1.5.0.3 beta
Brought to you by:
vincefn
From: Favre-Nicolin V. <vi...@us...> - 2003-07-20 17:51:49
|
Hi, I've made a few last changes before official release. In this version: * The lists of bond lengths, bond angles and dihedral angles restraints are= =20 now displayed in separate windows, which can be opened using the "Formula"= =20 menu. This makes it more friendly to people working with large molecules=20 (>100 atoms), which had to wait for a _long_ time (minutes) before being ab= le=20 to open the graphical view. * Added a menu (in "Formula") to rigidify the molecule by automatically add= ing=20 (almost) all possible dihedral angles. By default Fox does not add dihedral= =20 angles when importing from a Z-matrix, so this will be necessary for people= =20 who want to work in quasi-rigid body mode. You can selectively remove the=20 dihedral angles afterwards (again using the "Formula" menu) if you want to= =20 allow only a few specific free torsions. * fixed bug reading an xml file when there is no data in the pattern * fixed incorrect determination of free torsion bonds for short bonds (wind= ows=20 only) * Correctly recompute resonant (anomalous) scattering factors when the=20 wavelength has changed available from: ftp://ftp.unige.ch/pub/soft/crystal/fox Vincent =2D-=20 Vincent Favre-Nicolin Universit=E9 Joseph Fourier http://v.favrenicolin.free.fr ObjCryst & Fox : http://objcryst.sourceforge.net |