source: rotdif/files/welcome_my.html @ 1471

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ROTDIF

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1 <div style="width:800px;margin-left:100px">
2    <p><span style="font-weight:bold;font-size:20pt;font-family:'Times New Roman'">Welcome</span></p>
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4    <p style="text-align:left;margin-bottom:0.000000pt;margin-top:0.000000pt"></p>
5   
6    <p style="font-size:16pt;font-family:'Times New Roman'">
7    Welcome to ROTDIF, a package for processing, prediction, and rigid-body docking based on nuclear spin-relaxation!</p>
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9    <p style="text-align:justify;margin-bottom:0.000000pt;margin-top:0.000000pt">
10    <span style=
11    "font-size:16pt;font-family:'Times New Roman'"> 
12      The relaxation toolbox (ROTDIF) has several important capabilities.
13      First, it consists of a new version of the ROTDIF program, which can now simultaneously analyze relaxation data for
14      15N and 13C at several fields. The new ROTDIF 3.0 is orders of magnitude faster than the previous version, and is now able
15      to accurately compute a fully anisotropic rotational diffusion tensor from a 250+ bond dataset in under 0.05 s, on a standard
16      laptop. ROTDIF is also more robust, based on our simulations, when processing data with large conformational exchange contributions.
17      Order parameters can also be rapidly computed. The toolbox also contains ELM3 and ELMDOCK, a program for ab initio prediction of the
18      rotational diffusion tensor from molecular structure, and the
19      associated docking program that orients and docks a two-domain system based on relaxation data. The prediction can be computed in less
20      than 0.1 s, and docking can be performed within a few seconds on a standard laptop.
21    </span></p> 
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23    <p></p>
24    <p> <u>If you use ROTDIF in your work, please cite: </u></p>
25    <p style="color:#ffa500"> XXX et al.,  <span style=
26    "font-style:italic;font-size:14pt;font-family:'Times New Roman'">Journal of XXX</span> XX, 201X, XXX-XXX </p>
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28 </div>
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