Tools: disclaimer Laboratory for Chemical Crystallography, University of Basel

New tools for generating publication materials from cif-files

Wenn Sie dieses Dokument in deutsch lesen möchten, so klicken Sie bitte hier.

A new service is available on our webserver at the URL http://www.xray-structures.ch/readCif which permits to extract the data contained in a cif-file and to fill a template in order to produce a document to be used in a publication manuscript. Copy your cif-file via html-upload temporarily to our server, where it resides for the duration of the process to extract the relevant data items and to produce the document ready for insertion in your publication. At completion of the process your copy of the datafile is deleted, nothing is stored on our harddrives, your original datafile residing on your local drive remains of course untouched. You now can use “copy & paste” to insert the document in your manuscript produced by your favorite text processing software, or you save the document as textfile on your local harddrive.

Up to now there is a template for producing a standard experimental and a standard table and two templates to produce coordinate input files in MacMoMo- amd Shelx-format (up to now only isotropic U-values!). Templates to generate inputfiles for other crystallographic software packages like DirDif are currently developped.

The service offered is under development! It is my aim to provide a service which runs correctly, but of course I cannot guarantee this! Please read the documents you produced attentively before submitting them or give them to us for checking. I am most thankful if you tell me misfunctions or wishes for enhancements in the templates provided or in the functionality, it is only like this that I can optimize the service. You can reach me at Markus.Neuburger@unibas.ch or +41 61 267 10 25. If you want to submit a bug report I need your cif-file, the name of the template you tried to use together with a short description of the error that occurred. We will of course use your datafile only for the purpose of development and will delete it after having solved the problem.