ReadAng - read DIANA dihedral angle file ReadListAng - read list of DIANA dihedral angle filesSYNOPSIS
ReadAng fileName ReadListAng fileNameDESCRIPTION
Read a dihedral angle file like it is generated by DIANA or DYANA. The file can contain more than one structure. If only one structure is stored in the file, the file name is taken as name of the molecule. If there are multiple structures, numbers are appended to the file name for generating the molecule names.
ReadListAng expects a file with one file name per line (empty lines allowed), and reads all these files.
All residues must appear in the residue library:
$MOLMOLHOME/setup/amber94.lib
Angle files can only represent structures if the only
conformational changes from the standard geometry in
the residue library are rotations about dihedral
angles. This is the case for structures calculated in
dihedral angle space (DIANA), but not e. g. for energy
minimized structures. It is also essential to use the
same library that was used for the calculations,
otherwise structures can be distorted due to slight
differences in the standard geometry in the different
libraries. It is generally safer to use coordinate
files to avoid these problems.
EXAMPLE
ReadAng /home/joe/struct/my_prot.ang ReadListAng /home/joe/struct/my_prot.namSEE ALSO
PathNames, ReadDg, ReadPdb, WriteAng
DATE
950704