| commit | dfdf261dd46a78ef728ff8827e2fe396f2a02d7a | |
| author | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Tue, 14 Sep 2010 07:04:25 +0000 (14 09:04 +0200) | ||
| committer | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Tue, 14 Sep 2010 07:04:25 +0000 (14 09:04 +0200) | ||
| tree | 9371bf9cce295a59bae4a444981b4b039906e9c7 | treesnapshot (tar.gz zip) |
| parent | eaf610ec6cf708b7e879401bcfe421e01381c309 | commitdiff |
Fixed bug 553 by checking whether an atom name is longer than 2 characters
and has a digit in the third character. In that case the name is expected
to be protein. However, in this case e.g. Si12 will be designated as Sulphur.
The alternative would be to check whether the present residue is an amino acid
but that may be problematic as well.
and has a digit in the third character. In that case the name is expected
to be protein. However, in this case e.g. Si12 will be designated as Sulphur.
The alternative would be to check whether the present residue is an amino acid
but that may be problematic as well.
| src/gmxlib/pdbio.c | diffblobblamehistory |