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chemeuro
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2楼2008-02-27 10:47:23
enCIFer
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lingzi326(金币+2,VIP+0):Thank you for your answer.
lingzi326(金币+2,VIP+0):Thank you for your answer.
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下载enCIFer，可检查、编辑、查看结构。 见：http://www.ccdc.cam.ac.uk/free_services/encifer/ enCIFer - CIF checking, editing and visualisation software from the CCDC CIF (Crystallographic Information File) is now a standard means of information exchange in crystallography. An increasing number of journals generate papers for publication directly from CIFs, and it is also the recommended way of submitting data to the CSD. enCIFer provides an intuitive, user-friendly interface to enable you, having completed a crystal structure refinement, to add information safely to the resultant CIF without corrupting the strict syntax. As well as catering for users who are familiar with the CIF format, much attention has been placed on designing features suitable for those with less experience. enCIFer Version 1.2 operates on single or multi-block CIFs to permit: Location and reporting of syntax/format violations using the current CIF dictionary Correction of these syntax/format violations Editing of existing individual data items or looped data items Addition of new individual data items or looped data items Addition of certain standard additional information via two data entry wizards: Publication wizard - basic bibliographic information required by most journals and databases that accept CIF deposition documents Data wizard - chemical, physical and crystallographic property information that enhances a CIF for journal or database deposition 3D visualisation of structure(s) in a CIF, including displacement ellipsoids enCIFer is available to the scientific community free of charge for bona fide research purposes. It is hoped that it will become a valuable tool in crystallography laboratories in ensuring the syntax/format integrity of CIFs which are to be stored in laboratory archives, or deposited with a journal or a database. |
3楼2008-02-27 11:47:13