little interface change
New PdbStringWrite function writes a PDB to a string. Some modifications in the PDBwrite family of functions
New PdbStringWrite function writes a PDB to a string. Some modifications in the PDBwrite family of functions
New PdbStringRead function and some modifications to the PDB read family
xyz writing and reading from or to a string is implemented
started pseudo-implementing gonum
started pseudo-implementing gonum 2
just added gocoords
ported chem.go and files.go, not tested
files.go and chem.go pass first tests
geometric.go and matrix.go ported, not tested
matrix.go and geometric.go pass basic tests. Test for gnEigen still needed, will com with clifford.go and handy.go
clifford.go, handy.go, geometric.go, matrix.go ported and tested
clifford.go, handy.go, geometric.go, matrix.go ported and tested
ramachandran.go and all xtc things ported and tested
Everything ported and (mostly )tested
added a new function to filter by residue in Ramachandran plots
added some missing files
first attempt of merging the new api
Merge branch 'gonum'