int gmx_pdb2gmx(int argc, char *argv[])
{
const char *desc[] = {
- "[THISMODULE] reads a [TT].pdb[tt] (or [TT].gro[tt]) file, reads",
+ "[THISMODULE] reads a [REF].pdb[ref] (or [REF].gro[ref]) file, reads",
"some database files, adds hydrogens to the molecules and generates",
- "coordinates in GROMACS (GROMOS), or optionally [TT].pdb[tt], format",
+ "coordinates in GROMACS (GROMOS), or optionally [REF].pdb[ref], format",
"and a topology in GROMACS format.",
"These files can subsequently be processed to generate a run input file.",
"[PAR]",
"Check Chapter 5 of the manual for more information about file formats.",
"[PAR]",
- "Note that a [TT].pdb[tt] file is nothing more than a file format, and it",
+ "Note that a [REF].pdb[ref] file is nothing more than a file format, and it",
"need not necessarily contain a protein structure. Every kind of",
"molecule for which there is support in the database can be converted.",
"If there is no support in the database, you can add it yourself.[PAR]",
"This can be turned off (no merging), all non-water chains can be merged into a",
"single molecule, or the selection can be done interactively.[PAR]",
- "[THISMODULE] will also check the occupancy field of the [TT].pdb[tt] file.",
+ "[THISMODULE] will also check the occupancy field of the [REF].pdb[ref] file.",
"If any of the occupancies are not one, indicating that the atom is",
"not resolved well in the structure, a warning message is issued.",
- "When a [TT].pdb[tt] file does not originate from an X-ray structure determination",
+ "When a [REF].pdb[ref] file does not originate from an X-ray structure determination",
"all occupancy fields may be zero. Either way, it is up to the user",
"to verify the correctness of the input data (read the article!).[PAR]",
"from the input and before new hydrogens are added. This means that",
"you should not use [TT]-ignh[tt].[PAR]",
- "The [TT].gro[tt] and [TT].g96[tt] file formats do not support chain",
- "identifiers. Therefore it is useful to enter a [TT].pdb[tt] file name at",
- "the [TT]-o[tt] option when you want to convert a multi-chain [TT].pdb[tt] file.",
+ "The [REF].gro[ref] and [TT].g96[tt] file formats do not support chain",
+ "identifiers. Therefore it is useful to enter a [REF].pdb[ref] file name at",
+ "the [TT]-o[tt] option when you want to convert a multi-chain [REF].pdb[ref] file.",
"[PAR]",
"The option [TT]-vsite[tt] removes hydrogen and fast improper dihedral",
{ "-deuterate", FALSE, etBOOL, {&bDeuterate},
"Change the mass of hydrogens to 2 amu" },
{ "-chargegrp", TRUE, etBOOL, {&bChargeGroups},
- "Use charge groups in the [TT].rtp[tt] file" },
+ "Use charge groups in the [REF].rtp[ref] file" },
{ "-cmap", TRUE, etBOOL, {&bCmap},
- "Use cmap torsions (if enabled in the [TT].rtp[tt] file)" },
+ "Use cmap torsions (if enabled in the [REF].rtp[ref] file)" },
{ "-renum", TRUE, etBOOL, {&bRenumRes},
"Renumber the residues consecutively in the output" },
{ "-rtpres", TRUE, etBOOL, {&bRTPresname},
- "Use [TT].rtp[tt] entry names as residue names" }
+ "Use [REF].rtp[ref] entry names as residue names" }
};
#define NPARGS asize(pa)