[Gchemutils-main] Open file from Pubchem and some other questions

Wed, 28 Aug 2013 08:31:56 -0700

hii,
 
i just did my first molecule with gchempaint (using kubuntu 12.04lts) - which is very intuitive and easy to use: hooray for that - great work.
 
But as i am lazy and some big molecules are already available in pubchem i looked - and in the manual it says:

1.3. To Open a File

  • PubChem ASN.1 ASCII Format files (*.asn)

  • PubChem ASN.1 Binary Format files (*.asn;*.val)

  • PubChem ASN.1 XML Format files (*.pc)

 

nice going - but: these formats are not availabe in Pubchem.

there you find:

.asnt, .asnb, .sdf, .xml - 8 downloadable Formats (2D and 3D) for each molecule.

But none of them can be opened by gchempaint.

Is there a trick in doing so? Any hint would be great.

 

Also i have another question:

is ther a possibility to create chair confirmations of carbohydrates - like here: https://en.wikipedia.org/wiki/Pyranose
?

 

Third and last:

along with gchempaint i tried the chemistry extension for openoffice. There images can be created by entering InChi and similar.

Is this (InChi, Smiles or similar) somehow possible with gchempaint?

Would be a great feature to have. So this is a suggestion ;)

 

 

Anyway: great program!

cheers

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