Hi Seth and Jason,
I just tried out Jason's commands and while that works for this case I can't
verify that it fails in Seth's case. While checking the command line options
for create, I did notice that, like the load command, the create command also
has a discrete flag. It is not described in t
Hi Seth,
When using the "create" command, you need to specify target and source
states. Here's an example. Let's assume 1oky and 1t46 are the same
protein (they're really close, so good for this example). They both
have ligands, 1t46 has STI and 1oky has STU. I can (1) load each
structure. usi
Thanks Robert and Jason
Indeed, I have different small molecules as Robert surmised and subsequent
ones affect the connectivity of the earlier ones (and representations for
some reasons, colors and spheres, etc. become unpredictable) when using the
create command. I had noted that "discrete" flag
On Wed, Nov 10, 2010 at 8:55 AM, Robert Campbell
wrote:
> So, you need to do:
>
> load this_ligand, all_lig, discrete=1
> load next_ligand, all_lig, discrete=1
Great point, Robert. In PyMOL when you load without specifying the
discrete flag or set it to zero, any series of states is considered a
Hi Seth,
On Tue, 09 Nov 2010 22:54:59 -0500 Jason Vertrees
wrote:
> Hi Seth,
>
> I haven't seen that (in this scenario). Can you send me a few PDB examples?
>
> Cheers,
>
> -- Jason
>
> On Mon, Nov 8, 2010 at 10:13 PM, Seth Harris wrote:
> > Hi all,
> > I feel I should know this one. I hav
Hi Seth,
I haven't seen that (in this scenario). Can you send me a few PDB examples?
Cheers,
-- Jason
On Mon, Nov 8, 2010 at 10:13 PM, Seth Harris wrote:
> Hi all,
> I feel I should know this one. I have a program looping through structures
> and bringing each small molecule into a single mul
Hi all,
I feel I should know this one. I have a program looping through structures
and bringing each small molecule into a single multi-state object so I can
tab through the states.
I do:
create all_lig, this_ligand, 1, 1
then go on to the next one:
create all_lig, next_ligand, 1, 2
and so on
