Related ArticlesMollib: a molecular and NMR data analysis software.
J Biomol NMR. 2017 Oct 14;:
Authors: Lorieau JL
Abstract
Mollib is a software framework for the analysis of molecular structures, properties and data with an emphasis on data collected by NMR. It uses an open source model and a plugin framework to promote community-driven development of new and enhanced features. Mollib includes tools for the automatic retrieval and caching of protein databank (PDB) structures, the hydrogenation of biomolecules, the analysis of backbone dihedral angles and hydrogen bonds, and the fitting of residual dipolar coupling (RDC) and residual anisotropic chemical shift (RACS) data. In this article, we release version 1.0 of mollib and demonstrate its application to common molecular and NMR data analyses.
PMID: 29032520 [PubMed - as supplied by publisher]
Mollib: a molecular and NMR data analysis software
Mollib: a molecular and NMR data analysis software
Abstract
Mollib is a software framework for the analysis of molecular structures, properties and data with an emphasis on data collected by NMR. It uses an open source model and a plugin framework to promote community-driven development of new and enhanced features. Mollib includes tools for the automatic retrieval and caching of protein databank (PDB) structures, the hydrogenation of biomolecules, the analysis of backbone dihedral angles and hydrogen bonds, and the fitting of residual dipolar...
[NMR paper] GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data.
From Mendeley Biomolecular NMR group:
GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data.
Journal of biomolecular NMR (2011). Ian R Kleckner, Mark P Foster et al.
Molecular dynamics are essential for life, and nuclear magnetic resonance (NMR) spectroscopy has been used extensively to characterize these phenomena since the 1950s. For the past 15*years, the Carr-Purcell Meiboom-Gill relaxation dispersion (CPMG RD) NMR experiment has afforded advanced NMR labs access to kinetic, thermodynamic, and structural details of protein and RNA dynamics in the...
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11-22-2012 11:49 AM
[NMR paper] GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data.
From Mendeley Biomolecular NMR group:
GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data.
Journal of biomolecular NMR (2011). Ian R Kleckner, Mark P Foster et al.
Molecular dynamics are essential for life, and nuclear magnetic resonance (NMR) spectroscopy has been used extensively to characterize these phenomena since the 1950s. For the past 15*years, the Carr-Purcell Meiboom-Gill relaxation dispersion (CPMG RD) NMR experiment has afforded advanced NMR labs access to kinetic, thermodynamic, and structural details of protein and RNA dynamics in the...
nmrlearner
Journal club
0
08-24-2012 08:01 PM
GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data
GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data
Abstract Molecular dynamics are essential for life, and nuclear magnetic resonance (NMR) spectroscopy has been used extensively to characterize these phenomena since the 1950s. For the past 15 years, the Carr-Purcell Meiboom-Gill relaxation dispersion (CPMG RD) NMR experiment has afforded advanced NMR labs access to kinetic, thermodynamic, and structural details of protein and RNA dynamics in the crucial μs-ms time window. However, analysis of RD data is challenging because datasets are often large and...
Mollib: a molecular and NMR data analysis software.
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