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fconv specifications

Information


Unique identifier OMICS_15104
Name fconv
Software type Application/Script
Interface Command line interface
Restrictions to use None
Input format PDB, MOL2, SDF, DLG, CIF
Output format PDB, MOL2, SDF, DLG, CIF
Operating system Unix/Linux, Mac OS, Windows
Programming languages C++
License GNU General Public License version 3.0
Computer skills Advanced
Stability Stable
Maintained No

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Publication for fconv

fconv in publications

 (8)
PMCID: 5948898
PMID: 29597323
DOI: 10.3390/s18041009

[…] is applied to the whole scanning point cloud. after that, the icp algorithm is used to refine the registration result. the accuracy measurement of the algorithm is icp convergence score fconv, the minimum value of the closest point to the euclidean distance which is calculated by equation (). moreover, two threshold values fmax and fmin are set up. if fconv≤fmin, the registration […]

PMCID: 5767197
PMID: 29134431
DOI: 10.1007/s10822-017-0083-9

[…] calculations, that mainly consider residues delineating the binding site, the standard protein preparation workflow in maestro 11 (beta) and conversion to the appropriate format with the utility fconv was sufficient. to use the resulting structure in alchemical free energy simulations, however, it was necessary to model the missing region comprised between residues a459 and k464. visual […]

PMCID: 4962274
PMID: 27447658
DOI: 10.3390/ijerph13070733

[…] to be drawn regarding virus infectivity [,]. for this reason, in the present model, we considered the estimated virus concentration based on recovery efficiency (reff). we used a conversion factor (fconv) that allowed us to obtain infectious viral particle (pfu) values by taking into account the proportion of genomic copies (gcs) that corresponds to the infectious virus []. based […]

PMCID: 4435155
PMID: 25785309
DOI: 10.3390/s150306360

[…] in this case srtm is 72% and the computational time is 7 s. the strategy for autonomous failure detection is based on the value of the icp cost function, as defined in [], at the convergence (fconv) of the tracking algorithm, that is at the first time instant subsequent to the pose acquisition. clearly shows that when the tm is successful the value of fconv is of the order of few square […]

PMCID: 3794991
PMID: 24130741
DOI: 10.1371/journal.pone.0075762

[…] the active ligands in binding modes almost identical to those determined crystallographically (rmsd less than 1 or 2 å, ). the higher even corresponds to binding modes that are closer in rmsd (fconv was used to compute rmsd for small molecules) to the experimentally determined poses. similarly, the decoy compounds were docked within the right binding pocket making similar contacts […]


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fconv institution(s)
Department of Pharmaceutical Chemistry, Philipps-Universität Marburg, Germany

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