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Rounding-to-significant-digit
Rounding-to-significant-digit PublicRounding of uncertainties and measurement values to significant digit as specified by DIN1333
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cpptraj-H-bond-analysis-difference
cpptraj-H-bond-analysis-difference PublicCalculates change of H bond frequency (stability), average angle and average distance from cpptraj hbond output files and creates a sortable, color coded excel table. The Alignkeys submodule was cr…
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pept-prot-infer
pept-prot-infer PublicDetermines the original peptide identities and their relative abundances from single molecule sequencing datasets. This peptide distribution is then used in a second step to figure out the original…
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dihydroxy_dehydratases_MSA
dihydroxy_dehydratases_MSA PublicOkke Melse's MSA of various dihydroxy acid dehydratases
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recolor-PyMOL-proteins-via-B-factor
recolor-PyMOL-proteins-via-B-factor PublicThis script allows you to recode the B-factor column of a PDB/CIF file with any values. This is useful for using molecular visualisation programs like PyMOL, to color proteins, for example using Py…
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