6.13 Save the molecule
VEGA ZZ uses customized file requesters and so during the save operation it's possible to select some options:
To show this dialog box, you must select File
-> Save main menu item or click the disk picture of the Tool
bar 1. As in As usually, you can choose the File name
and the file format (Save as), but you can also select the Compression
(None, BZip2, GZip and Z Compress) and the possibility to save the Connectivity
and the atom Constraints for the molecular dynamics. Only two file formats able to store the constraint data are the PDB (in the
B column for NAMD) and the IFF/RIFF. The Big endian and 64 bit
checkboxes are specific for the IFF/RIFF format. The first one allows to write
in big endian format (it's the real IFF written by the old VEGA releases) and
the second one switches the saver in 64 bit mode in order to write files larger
than 4 Gb.
The supported file formats are: PDB 2.2 (*.pdb),
PDB (*.pdb), PDB non std (*.pdb), PDB Atdl (*.pdb;*.pdba), PDB Fat (*.pdb;*.pdbf),
PDBQ (*.pdb), Insight (*.car), Insight old (*.car), Alchemy (*.alc;*.mol), CRD
(*.crd), Cssr (*.cssr;*.csr), Fasta (*.fas), Gamess (*.inp), Gaussian cartesian
(*.gjf), Gromacs/Gromos (*.gro),
Gromacs/Gromos nm (*.gro), IFF/RIFF (*.iff), MDL Mol (*.mol), Mol2
(*.ml2;*.mol;*.mol2), Mopac (*.dat;*.arc), Quanta MSF (*.msf), QMC (*.qmc), X-Plor PSF
(*.psf), XYZ (*.xyz).
Notes:
The IFF files are compatible with the old VEGA releases (pre-2.0.6 and
pre-1.5.6) saving them in 32 bit big endian format (Big endian checked
and 64 bit unchecked).