rigns3d - produces a file of ring-filling triangles from a PDB file
Contents
Bugs
limitedresiduetypes
The database of residue types should be kept externally, so you don't have to rebuild the program to add
a new type. There should be an option to search for ring systems in un-recognized residue types.
crinkledplanes
There should be an option to do a least-squares best plane through supposedly flat rings. Then again,
seeing a crease in a "flat" ring may force people to consider whether their planarity restraints are
tight enough.
Examples
render a DNA molecule with the bases filled in:
cat $R3D_LIB/dna.colours dna.pdb | rods -radius 0.05 > temp.1
rings3d -bases < dna.pdb > temp.2
cat temp.1 temp.2 | render -tiff dna.tiff
Name
rigns3d - produces a file of ring-filling triangles from a PDB file
Options
-bases
Fills in purine and pyrimidine rings from A C G T U residues.
-protein
Fills in sidechain rings of HIS PHE TRP and TYR residues.
-sugars
[This is the default] Fills in pyranose rings of GAL GLC NAG NGA MAN SIA residues.
See Also
Raster3D(l)
Source
anonymousftpsite:
ftp.bmsc.washington.edu
webURL:http://www.bmsc.washington.edu/raster3d/raster3d.htmlcontact:
Ethan A Merritt
Dept of Biological Structure Box 357742
University of Washington, Seattle WA 98195
merritt@u.washington.eduSynopsis
rings3d [-bases] [-protein] [-sugars] < infile.pdb > outfile.r3d
rings3d searches through a PDB file looking for residues containing 5- or 6-membered rings, then produces
a Raster3D output file of ring-filling triangles.
rings3d matches residue types from an internal list of residue and atom names. It will fail to find
residues not in its list, and fail to recognize atoms with non-standard names.
