There is a CCP4 basic program rwcontents Run it as rwcontents xyzin rna.pdb It lists no_of_C m no_of_O etc.. and sums their mass If you have the H atoms in the pdb that will give you the total mass.
If not you will have to estimate the no of H yourself.. Eleanor On Fri, 16 Nov 2018 at 16:46, David Armstrong <dav...@ebi.ac.uk> wrote: > Dear Reza, > > > The calculated molecular weight for each molecule in a PDB entry is given > in the archive PDBx/mmCIF file. The weight in Daltons is given in the > _entity.formula_weight category. Please see > http://www.ebi.ac.uk/pdbe/entry-files/4tna.cif for an example file. > > > Kind Regards, > > David > > On 16/11/18 16:19, Reza Khayat wrote: > > Hi, > > > > I’m not an RNA person. Can anyone suggest a method to calculate the mass > of a RNA PDB? I’d like the protons to also be considered in the > calculation. Thanks. > > > > Best wishes, > > Reza > > > > Reza Khayat, PhD > > Assistant Professor > > Department of Chemistry > > City College of New York > > 85 Saint Nicholas Terrace, CDI 2.318 > > New York, NY 10031 > > http://www.khayatlab.org/ > > 212-650-6070 > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > > > -- > David Armstrong > Outreach and Training Coordinator > PDBe > European Bioinformatics Institute (EMBL-EBI) > European Molecular Biology Laboratory > Wellcome Trust Genome Campus > Hinxton > Cambridge CB10 1SD UK > Tel: +44 1223 492544 > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
