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Protocols

MolScript specifications

Information


Unique identifier OMICS_05068
Name MolScript
Software type Application/Script, Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux
Programming languages C
License MIT License
Computer skills Advanced
Version 2.1.2
Stability Stable
Maintained Yes

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Versioning


No version available

Documentation


Maintainer


  • person_outline Per Kraulis

Publication for MolScript

MolScript citations

 (85)
library_books

Improving Docking Performance Using Negative Image Based Rescoring

2018
Front Pharmacol
PMCID: 5879118
PMID: 29632488
DOI: 10.3389/fphar.2018.00260

[…] Figures , 4, 5 were prepared using BODIL (Lehtonen et al., ), MOLSCRIPT2.1.2 (Kraulis, ), RASTER3D3.0.2 (Merritt and Murphy, ), and VMD1.9.2 (Humphrey et al., ). The area under curve (AUC) values (Tables , ), the early enrichment values (Tables , ) were calculat […]

call_split

Structure Activity Relationship Analysis of 3 Phenylcoumarin Based Monoamine Oxidase B Inhibitors

2018
PMCID: 5840146
PMID: 29552556
DOI: 10.3389/fchem.2018.00041
call_split See protocol

[…] ) and VMD 1.9.2 (Humphrey et al., ). The negative images of the MAO-B and MAO-A binding cavities shown in Figure and C were outlined using PANTHER (Niinivehmas et al., , ) and visualized with BODIL, MOLSCRIPT (Kraulis, ), and RASTER3D (Merritt and Murphy, ). […]

library_books

Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding

2018
PeerJ
PMCID: 5831161
PMID: 29503769
DOI: 10.7717/peerj.4412

[…] l and geometric descriptions of compounds were created using LIBCHECK (). Model building and refinement were made using COOT () and REFMAC () programs, respectively. The graphics were generated using MOLSCRIPT (), BOBSCRIPT (), RASTER3D () and PYMOL (, ) programs. Coordinates and structure factors have been deposited to the RCSB Protein Data Bank (PDB). PDB access codes are listed in . […]

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Crystal structure of tripartite type ABC transporter MacB from Acinetobacter baumannii

2017
Nat Commun
PMCID: 5673888
PMID: 29109439
DOI: 10.1038/s41467-017-01399-2
call_split See protocol

[…] he favoured region and 0.0% residues in the outliers with a Molprobity score of 1.49. The surface area between the MacB monomers was calculated using QT-PISA (CCP4 suite). Figures were prepared using Molscript rendered with Raster3D, Chimera and PyMOL. […]

library_books

Rhorix: An interface between quantum chemical topology and the 3D graphics program blender

2017
J Comput Chem
PMCID: 5656898
PMID: 28857244
DOI: 10.1002/jcc.25054

[…] ktop computer systems became standard, user‐friendly software allowed any interested researcher to make images to assist in the completion and communication of their work. Pioneering software such as MolScript, Mage, and RasMol resulted in the ability to make computer graphics images of chemical systems, which so became part of the standard scientist's toolkit.Despite the current proliferation of […]

library_books

Crystal structures of the NO sensor NsrR reveal how its iron sulfur cluster modulates DNA binding

2017
Nat Commun
PMCID: 5411485
PMID: 28425466
DOI: 10.1038/ncomms15052

[…] alculated with the in-house developed program cavenv, as incorporated in the CCP4 package. Compilations of all the programs mentioned above were provided by SBGrid. , , and , and were prepared with Molscript or Bobscript and rendered with Raster3D (ref. ). […]

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MolScript institution(s)
Department of Molecular Biology, Uppsala University, BMC, Uppsala, Sweden
MolScript funding source(s)
Supported by Nordisk Industrifond and the Swedish Natural Science Research Council (NFR).

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