Load directory of xyz in jmol full#
Since the procedure involves a query to the Resolver, and their server tries to interpret it as a full molecule, the result may then not be what you expect. It uses the NCI CACTVS Resolver web service for format conversion, and hence it needs a live internet connection to work.Īvailable since Jmol version 14.6.0 Note: If only a subset of the full model has been selected, only that subset will be included in the exported model. The same information that would be exported to a file may be put into a variable using this function. See also show() below, as an alternative.įirst parameter in the function is the format, second if needed is some qualifier, both matching what would be used in the command.Įxports to pdb format note that Jmol will read back this format, but it is not compliant with the official PDB standardĮxports to mol-v2000 or mol-v3000 format, respectivelyĮxports to xyz format, original untransformed coordinatesĮxports transformed coordinates to mol-v2000 or mol-v3000 format, respectivelyĮxports a packed file that contains the model and the state (but not the snapshot) The data can later be loaded using load var a. This function in the Jmol Scripting Language allows to place the output of the write command into a variable, rather than saving to a file.
With transformed coordinates, using this format: There is also the choice (only in MOL format) of saving the transformed coordinates as they are in the current state of the model:
Load directory of xyz in jmol software#
Writes a single file that packs the original model file, the state as a Jmol script, and a snapshot ( png image) of the current display this file may be loaded back into Jmol and will reproduce the stateįunctionally equivalent to the previous one, but produces a png file that is displayed as a regular image in any software when loaded into Jmol it will read the model and its stateĪll of the above commands will save the original cooordinates of each atom as they were in the input file. With original coordinates, using this format: The last 3 are according to the official format specification from MDL-Accelrys-Symyx.Įxport the currently selected set of atoms,
Jmol can export the currently selected set of atoms to a file in 1 Exporting or saving molecular model files from JmolĮxporting or saving molecular model files from JmolĪlthough Jmol was designed as a viewer, it has now capabilities to save files for the displayed molecular model (or a subset of it).