• osx-64 v2020.10.05
• win-64 v2020.10.05
• linux-64 v2020.10.05

conda install

To install this package run one of the following:
conda install tpeulen::labellib

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LabelLib is a low-level C++ library for the simulation of small probes flexibly coupled to biomolecules for the development of higher-level applications and libraries. LabelLib can calculate the distribution of flexible labels around attachment points. Such probes are for instance dyes for fluorescence spectroscopy, spin-labels for EPR and NMR, or chemical cross-links for mass-spectrometry. Typically, these labels are fluorescent dyes. For such dyes LabelLib can calculate FRET observables. LabelLib uses a coarse-grained approach to simulate the spatial distribution of probes around their attachment point. In this coarse-grained approach, LabelLib determines the sterically accessible volume of the probe considering the linker length and the spatial dimensions of the probe. The linker connecting the probe to the biomolecule and the probe are approximated by a tube and soft sphere, respectively. Details are provided in the publications

1. Kalinin, S., T. Peulen, S. Sindbert, P. J. Rothwell, S. Berger, T. Restle, R. S. Goody, H. Gohlke and C. A. M. Seidel (2012). A toolkit and benchmark study for FRET-restrained high-precision structural modeling. Nature Methods 9(12) 1218-U1129.
2. Dimura, M., T. O. Peulen, C. A. Hanke, A. Prakash, H. Gohlke and C. A. M. Seidel (2016). Quantitative FRET studies and integrative modeling unravel the structure and dynamics of biomolecular systems." Current Opinion in Structural Biology 40 163-185.
3. Sindbert, S., S. Kalinin, N. Hien, A. Kienzler, L. Clima, W. Bannwarth, B. Appel, S. Muller and C. A. M. Seidel (2011). Accurate Distance Determination of Nucleic Acids via Forster Resonance Energy Transfer - Implications of Dye Linker Length and Rigidity. Journal of the American Chemical Society 133(8) 2463-2480.