Hi all:
When I use the following file named ("2175908.xyz")
32
C -0.291523 0.3160533892 0.391375
C -0.0001205266 1.6897724142 -0.354856
C -1.1476732403 2.5783557540 -0.2608024912
C -0.7134957259 3.8662394928
Our approach to file formats in Chimera is to support the "native" form
from the developers. The use of ## for Dock mol2 format is
obviously easiest for us since it is in use and already works in
Chimera, but we're happy to accommodate a more broadly useful format.
Conrad
On 4/3/12 2:
Hi,
This is a good suggestion.
But before implementation,
1) do the DOCK developers or users have any comments ?
2) do the Chimera developers or users have any comments ?
In particular, does Chimera use ## as the lexeme for the DOCK token ?
It might be useful to have a consistent lex
Hi,
Sticking with ## appears to be the best approach.
Thanks everyone for the comments.
scott
ps.
http://tripos.com/data/support/mol2.pdf
@COMMENT
Note: This RTI has not been implemented. Instead comments appear in the file
immediately above the @ATOM line.
On Wed, Apr 04, 2012 at 09:
