Bulheller Benjamin M, Hirst Jonathan D
School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, UK.
Bioinformatics. 2009 Feb 15;25(4):539-40. doi: 10.1093/bioinformatics/btp016. Epub 2009 Jan 7.
Circular dichroism (CD) is widely used in studies of protein folding. The CD spectrum of a protein can be estimated from its structure alone, using the well-established matrix method. In the last decade, a related spectroscopy, linear dichroism (LD), has been increasingly applied to study the orientation of proteins in solution. However, matrix method calculations of LD spectra have not been presented before. DichroCalc makes both CD and LD calculations available in an easy-to-use fashion.
DichroCalc can be used without registration and calculates CD and LD spectra using a variety of matrix method parameters. PDB files can be uploaded as input or retrieved via their PDB code and a Perl-based parser is offered for easy handling of PDB files.
http://comp.chem.nottingham.ac.uk/dichrocalc and http://comp.chem.nottingham.ac.uk/parsepdb.
圆二色性（CD）在蛋白质折叠研究中被广泛应用。仅根据蛋白质的结构，使用成熟的矩阵方法就可以估算其CD光谱。在过去十年中，一种相关的光谱技术——线性二色性（LD），已越来越多地用于研究溶液中蛋白质的取向。然而，此前尚未有关于LD光谱的矩阵方法计算。DichroCalc以易于使用的方式实现了CD和LD计算。
DichroCalc无需注册即可使用，并使用多种矩阵方法参数来计算CD和LD光谱。PDB文件可以作为输入上传，也可以通过其PDB代码检索，并且提供了一个基于Perl的解析器以便于处理PDB文件。
http://comp.chem.nottingham.ac.uk/dichrocalc和http://comp.chem.nottingham.ac.uk/parsepdb 。
