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.
Selecting the AMMP and the X-Plor PSF  file formats, it's possible to enable the force field parameter check (Force field parm. combo box), in order to fix the missing parameters if they aren't included in the parameter files. If one or more parameters aren't included in the selected force field, the missing parameter table is shown.
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), PQR, (*.pqr), PQR XML (*.xml), Insight (*.car), Insight old (*.car), Alchemy (*.alc;*.mol), AMMP (*.amp), CML 2.0 (*.cml), CML (*.cml), CPMD XYZ (*.xyz), CRD (*.crd), CRT (*.crt), 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).