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Tools > Data Format Conversion |
In the MALT related software, gem and CHD it is needed to organize the available compounds into several mixture phases. For example, the gaseous species are normally treated as ideal gaseous mixture. Simiarly the aqueous species are treated together with the H2O(l) as solvent as the ideal aqueous mixture. If you need to treat further reorganization this editing tool will be used.
Reorganization made in this Form will not be represented properly in the compound table so that it is highly recommended to save the current reorganization as a new file; Either the compound file or the compound data file can be well saved what were made in this Form.
Note that whenever the additonal search of compounds will be made, the current organization will disappear so that it should be saved if necessary. When such information will be needed in the user's software, this can be made through the compound file or the compound data file.
The phase to be selected is based of the followings:
When the current compound system contains H2O(l) and aqueous species, the aqueous mixture is automatically selected as default treatment. If you need to specify other mixtures, you should use this form. If not, no necessary to use this.
Selection of single condensed phases can be made here. You can select to include or not those paticular compounds which appear in the compound table after retrieval.
The specification of mixtures is made by following submenus:
The specified reorganization can be saved in the normal "Compound File" without any further treatment.
It is highly recommended to save the compound file after making some task on the Data Format Conversion.
Related : Compound File MALT Data File Form