Oh, I forgot to mention that. I use CentOS and ScientificLinux 6, both HVM.
Pozdrawiam, | Best regards,
Maciek Wójcikowski
mac...@wojcikowski.pl
2012/7/20 Craig James
> Did you see this article? You didn't say what Linux you are using, but if
> it's Ubuntu, this may be of interest.
>
>
Did you see this article? You didn't say what Linux you are using, but if
it's Ubuntu, this may be of interest.
http://blog.xen.org/index.php/2011/11/29/baremetal-vs-xen-vs-kvm-redux/
Craig
On Fri, Jul 20, 2012 at 1:01 PM, Maciek Wójcikowski
wrote:
> I also thought about L1 and L2 caches. But
I also thought about L1 and L2 caches. But underlying problem seams to be
much simpler. The server is VM on modern AMD server (4x 12 core opteron +
96gigs of DDR3 ECC ram). Due to virtualisation heavy memory IO (memory
usage was less tan 50% including caches) minimization was running so slow.
I've
On Fri, Jul 20, 2012 at 2:16 AM, Maciek Wójcikowski
wrote:
> Hi,
> I'm doing some scripting in Python to minimize ligands and want to run
> them concurrently on SMP server (many processes, one core per proc.). The
> problem that I hit is that when I run one instance, process take 100% CPU
> and ru
Hi,
I'm doing some scripting in Python to minimize ligands and want to run them
concurrently on SMP server (many processes, one core per proc.). The
problem that I hit is that when I run one instance, process take 100% CPU
and runs for ~25min. For the same set if I run 32 concurrent processes it
ru
-ofpt means use the fpt output format. -xs means set the "s" output
option. Pybel however does not support options like this, so we need
to use the underlying library.
import pybel
# Set up converter
conv = pybel.ob.OBConversion()
conv.SetOutFormat("fpt")
conv.SetOptions("s", conv.OUTOPTIONS)
#
Hi Noel
My question is, in the command line we can use obabel -:"CCC" -ofpt -xs to
generate the chemical fragment. But is there any possible way to make it
happen in python using either pybel or openbabel?
I tried calcfp(), but it can just generate another type of sequence(I don't
know how to nam
