Re: [ccp4bb] LIGPLOT or similar

2010-08-27 Thread Christine Zardecki
Mark, Ligand Explorer displays hydrogen bonds, water-mediated hydrogen bonds, metal coordination, and hydrophobic contacts. High resolution images can be exported in several file formats. Ligand Explorer is available from each PDB entry's Structure Summary page at the RCSB PDB (www.pdb.or

Re: [ccp4bb] LIGPLOT or similar (quick summary)

2010-08-26 Thread Acharya, Priyamvada (NIH/VRC) [F]
To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] LIGPLOT or similar (quick summary) Dear All, people have pointed me to: LigPlot+ (http://www.ebi.ac.uk/thornton-srv/software/LigPlus/) MOE from ChemComp (not free) PDBSUM (http://www.ebi.ac.uk/pdbsum/): prerun LIGPLOT results, only for released pdb coordinat

Re: [ccp4bb] LIGPLOT or similar (quick summary)

2010-08-26 Thread Mark J van Raaij
Dear All, people have pointed me to: LigPlot+ (http://www.ebi.ac.uk/thornton-srv/software/LigPlus/) MOE from ChemComp (not free) PDBSUM (http://www.ebi.ac.uk/pdbsum/): prerun LIGPLOT results, only for released pdb coordinates. looks like I am stuck to Windows for now - at least it runs. Mark

Re: [ccp4bb] LIGPLOT or similar

2010-08-25 Thread Javier Gonzalez
Mark, you might want to try PDBsum (http://www.ebi.ac.uk/pdbsum/), it will generate a LIGPLOT output for a given PDB code entered, which can be downloaded as high resolution .pdf or .ps Best, Javier On Wed, Aug 25, 2010 at 2:49 PM, Tim Gruene wrote: > Hello Mark, > > if you would describe the er

Re: [ccp4bb] LIGPLOT or similar

2010-08-25 Thread Tim Gruene
Hello Mark, if you would describe the error message you get from the UNIX version of LIGPLOT, someone on the list might be able to help you while you have to wait for and apple installer version or the (commercial) alternatives. Looking at the pictures about ligplot I found on the web and conside

Re: [ccp4bb] LIGPLOT or similar

2010-08-25 Thread Christian Roth
Hi Mark, MOE from ChempComp does something similar, but I think it is not for free. Regards Christian Am Mittwoch 25 August 2010 19:51:08 schrieben Sie: > Dear All, > > Having just installed LIGPLOT under Windows, I find it rather convoluted to > run. It has to be run via de command line wi

[ccp4bb] LIGPLOT or similar

2010-08-25 Thread Mark J van Raaij
Dear All, Having just installed LIGPLOT under Windows, I find it rather convoluted to run. It has to be run via de command line window, and I try to avoid Windows as much as I can anyway. I also tried to install the Unix version on MacOSX, but was not able to get it running properly, probably a